Details of the Drug

General Information of Drug (ID: DM5X7VY)

Drug Name
Pyrimethamine
Synonyms
Chloridin; Chloridine; Chloridyn; Darachlor; Daraclor; Darapram; Daraprim; Daraprime; Daraprin; Diaminopyritamin; Erbaprelina; Ethylpyrimidine; Khloridin; Malacid; Malocid; Malocide; Maloprim; Pirimecidan; Pirimetamin; Pirimetamina; Primethamine; Pyremethamine; Pyrimethamin; Pyrimethaminum; Tindurin; Tindurine; Tinduring; Aventis Brand of Pyrimethamine; Glaxo Wellcome Brand of Pyrimethamine; GlaxoSmithKline Brand of Pyrimethamine; M alocid; Pirimetamina [Spanish]; Pyrimethamine Hcl; Wellcome Brand of Pyrimethamine; BW 5063; RP 4753; WR 2978; AZT + Pyrimethamine combination; BW 50-63; Daraprim (TN); EXR-101; Lactoferrin B & Pyrimethamine; Lactoferrin H & Pyrimethamine; Pirimetamina [INN-Spanish]; Pyrimethamine (Pyr); Pyrimethaminum [INN-Latin]; TCMDC-123831; TCMDC-125860; CRL-8131 & Pyrimethamine; CRL-8142 & Pyrimethamine; Fansidar (Pyrimethamine/Sulfadoxine); Pyrimethamine (JAN/USP/INN); Pyrimethamine [USAN:INN:BAN:JAN]; 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine; 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine; 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine; 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine; 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE; 5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE; 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine; 5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidi nediamine; 5-(4-chlorophenyl)-2,4-diamino-6-ethylpyrimidine; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 5-(p-chlorophenyl)-6-ethyl-2,4-diaminopyrimidine; 5-[4-Chlorophenyl]-6-ethyl-2,4-pyrimidinediamine
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [1]
Therapeutic Class
Antimalarials
Affected Organisms
Plasmodium
ATC Code
P01BD01: Pyrimethamine
P01BD: Diaminopyrimidines
P01B: ANTIMALARIALS
P01: ANTIPROTOZOALS
P: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 248.71
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Bioavailability
90% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.052 mL/min/kg [4]
Elimination
65% of drug is excreted from urine in the unchanged form [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 96 hours [4]
Metabolism
The drug is metabolized via the hepatic []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 5.02579 micromolar/kg/day [5]
Unbound Fraction
The unbound fraction of drug in plasma is 0.095% [4]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.43 L/kg [4]
Water Solubility
The ability of drug to dissolve in water is measured as 0.121 mg/mL [2]
Chemical Identifiers
Formula
C12H13ClN4
IUPAC Name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Canonical SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey
WKSAUQYGYAYLPV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4993
ChEBI ID
CHEBI:8673
CAS Number
58-14-0
UNII
Z3614QOX8W
DrugBank ID
DB00205
TTD ID
D0C0SK
VARIDT ID
DR01272
ACDINA ID
D00573
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Folate receptor alpha (FOLR1) TTVC37M FOLR1_HUMAN Modulator [6]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug and toxin extrusion protein 1 (SLC47A1) DTZGT0P S47A1_HUMAN Substrate [7]
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [8]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Beta-hexosaminidase subunit beta (HEXB) OTROYLCR HEXB_HUMAN Protein Interaction/Cellular Processes [9]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Gene/Protein Processing [10]
Caspase-7 (CASP7) OTAPJ040 CASP7_HUMAN Gene/Protein Processing [10]
Caspase-8 (CASP8) OTA8TVI8 CASP8_HUMAN Gene/Protein Processing [11]
Caspase-9 (CASP9) OTD4RFFG CASP9_HUMAN Gene/Protein Processing [11]
Cathepsin B (CTSB) OTP9G5QB CATB_HUMAN Gene/Protein Processing [11]
Cytochrome P450 2C9 (CYP2C9) OTGLBN29 CP2C9_HUMAN Gene/Protein Processing [12]
Glutathione S-transferase P (GSTP1) OTLP0A0Y GSTP1_HUMAN Gene/Protein Processing [13]
Histone H2AX (H2AX) OT18UX57 H2AX_HUMAN Post-Translational Modifications [14]
HLA class I histocompatibility antigen, alpha chain G (HLA-G) OTMLK1KN HLAG_HUMAN Gene/Protein Processing [15]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Malaria
ICD Disease Classification 1F40-1F45
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Folate receptor alpha (FOLR1) DTT FOLR1 1.85E-04 -1.41 -1.75
Multidrug and toxin extrusion protein 1 (SLC47A1) DTP MATE1 4.05E-01 -5.76E-01 -3.45E-01
Breast cancer resistance protein (ABCG2) DTP BCRP 2.10E-01 3.71E-01 7.59E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 145 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
JM1 GDSC1 5.7563 7.9321 3.5255 2.6112
ALL-PO GDSC1 0.2064 3.692 -0.0145 51.2291
WIL2 NS GDSC1 0.359 3.4311 0.2036 49.5871
ATN-1 GDSC1 0.4885 4.0723 0.2039 48.2481
GR-ST GDSC1 0.8543 8.1545 -0.9171 46.4221
697 GDSC1 0.922 4.0396 0.6846 43.3647
LAMA-84 GDSC1 1.0713 8.3462 -0.7802 44.9577
EoL-1 GDSC1 1.1573 21.7372 -7.1458 47.805
CTV-1 GDSC1 1.3479 3.0808 1.3124 37.3824
TK [Human B-cell lymphoma] GDSC1 1.5551 4.4159 1.2762 36.1315
HEL GDSC1 1.65 5.5494 0.9982 36.7692
Karpas-231 GDSC1 1.7444 3.1324 1.7234 32.3494
VL51 GDSC1 1.823 4.9921 1.3863 33.7782
Ramos.2G6.4C10 GDSC1 1.9146 6.5379 0.8775 35.5827
H9 GDSC1 1.9613 4.5723 1.6732 31.2888
MOLM-13 GDSC1 2.0008 11.9715 -1.5754 41.3878
Sc-1 GDSC1 2.0082 3.7771 1.9221 29.4658
DEL GDSC1 2.1122 5.2715 1.5978 30.8048
Hs 445 GDSC1 2.2251 4.9325 1.842 28.6629
U266B1 GDSC1 2.2494 5.5033 1.6555 29.653
JURL-MK1 GDSC1 2.3676 11.2479 -0.8795 38.4814
CESS GDSC1 2.4864 5.5555 1.8856 26.8896
SU-DHL-6 GDSC1 2.5041 7.1168 1.2225 30.591
HC-1 GDSC1 2.5446 6.1316 1.7042 27.6916
DND-41 GDSC1 2.5889 4.689 2.319 23.4512
SU-DHL-4 GDSC1 2.6266 6.941 1.4256 28.8583
U-698-M GDSC1 2.648 9.2339 0.3617 33.5894
SCC-3 GDSC1 2.7028 7.3065 1.3323 28.9642
BE-13 GDSC1 2.8541 10.2451 0.0629 33.6765
OCI-AML-2 GDSC1 2.8769 4.0797 2.8038 18.5346
A3/Kawakami GDSC1 2.8782 4.5126 2.6904 19.2931
MY-M12 GDSC1 2.897 5.0182 2.5336 20.282
QIMR-WIL GDSC1 2.9658 5.1958 2.537 19.8945
EM-2 GDSC1 2.994 11.8894 -0.6184 35.1484
SU-DHL-8 GDSC1 3.0021 5.7826 2.327 21.1927
RPMI-8402 GDSC1 3.0301 5.3924 2.5238 19.6548
NALM-6 GDSC1 3.0824 4.909 2.7734 17.6007
SIG-M5 GDSC1 3.1239 4.4378 2.9811 15.9209
BV-173 GDSC1 3.2734 8.0953 1.5032 25.2118
KE-37 GDSC1 3.3158 5.3406 2.8426 15.9038
Namalwa GDSC1 3.3724 5.4388 2.8576 15.515
NB4 GDSC1 3.3794 6.3359 2.4516 18.4721
SU-DHL-1 GDSC1 3.4023 6.1194 2.5761 17.4559
L-540 GDSC1 3.4352 5.9302 2.6968 16.4094
RPMI-8866 GDSC1 3.4428 7.6123 1.8968 22.017
Jiyoye GDSC1 3.4454 6.4544 2.4593 18.112
ML-2 GDSC1 3.4761 7.7556 1.8577 22.1211
KCL-22 GDSC1 3.4802 7.1032 2.1798 19.9451
MV4-11 GDSC1 3.4911 5.6568 2.8789 14.7877
KM-H2 GDSC1 3.5829 7.0679 2.2932 18.6913
MHH-PREB-1 GDSC1 3.5864 5.0877 3.2312 11.6993
Loucy GDSC1 3.5938 6.5489 2.5556 16.737
MOLT-4 GDSC1 3.846 7.9074 2.1186 18.7896
PF-382 GDSC1 3.854 6.7075 2.7198 14.3894
DG-75 GDSC1 3.8646 6.3147 2.9227 12.7951
Ku812 GDSC1 3.8681 6.8489 2.6628 14.7618
A4/Fukuda GDSC1 3.8939 6.8104 2.7052 14.3349
AMO1 GDSC1 3.9201 8.9064 1.6868 21.3047
MOLT-16 GDSC1 3.9308 7.1877 2.5513 15.3396
BALL-1 GDSC1 3.9831 6.0662 3.1535 10.5168
CRO-AP2 GDSC1 4.0024 8.2911 2.0652 18.5179
MC116 GDSC1 4.038 6.9438 2.7675 13.2796
Karpas-422 GDSC1 4.0399 9.009 1.7394 20.4956
SR GDSC1 4.051 6.3455 3.0764 10.8423
BC-3 GDSC1 4.1237 8.8761 1.8776 19.2837
PL-21 GDSC1 4.1487 7.0151 2.8284 12.3809
ARH-77 GDSC1 4.162 7.4407 2.6273 13.8583
SUP-M2 GDSC1 4.2635 5.2456 3.8105 4.2498
Mono-Mac-6 GDSC1 4.2698 8.1314 2.3736 15.3184
BL-41 GDSC1 4.3045 6.5418 3.1975 8.9264
SUP-HD1 GDSC1 4.3817 6.7864 3.1391 9.1059
OPM-2 GDSC1 4.386 7.0464 3.0127 10.0764
SU-DHL-16 GDSC1 4.4019 9.44 1.8293 18.5381
CCRF-CEM GDSC1 4.4729 8.0949 2.5597 13.2144
LC4-1 GDSC1 4.5087 7.6358 2.818 11.1456
HH [Human lymphoma] GDSC1 4.509 7.6138 2.8291 11.0595
Farage GDSC1 4.5301 7.69 2.808 11.1474
BC-1 GDSC1 4.5775 8.2226 2.5803 12.6952
KMS-12-BM GDSC1 4.5791 7.8831 2.7509 11.4123
CTB-1 GDSC1 4.5897 7.7975 2.8019 10.9892
Karpas-299 GDSC1 4.6198 6.2343 3.6012 4.692
HT GDSC1 4.6248 6.5178 3.465 5.7365
MEG-01 GDSC1 4.625 10.2372 1.6129 19.0789
DB GDSC1 4.6331 9.6453 1.9149 17.1499
SUP-B15 GDSC1 4.6503 6.4001 3.5422 5.0575
ALL-SIL GDSC1 4.6738 8.0013 2.7666 10.974
Daudi GDSC1 4.6957 7.3547 3.1046 8.3142
L-363 GDSC1 4.7409 7.1673 3.2315 7.1899
MOLT-13 GDSC1 4.9361 9.393 2.2782 13.6659
HAL-01 GDSC1 4.9655 11.9588 1.0257 21.2089
OCI-Ly19 GDSC1 4.9829 7.2504 3.3652 5.4579
NOMO-1 GDSC1 5.0912 9.3603 2.4116 12.2341
NK-92MI GDSC1 5.1012 7.1686 3.4838 4.2622
RPMI-6666 GDSC1 5.1473 9.2765 2.4943 11.4727
SKM-1 GDSC1 5.2175 9.0409 2.6608 10.0614
OCI-AML-3 GDSC1 5.2652 7.0758 3.629 2.8466
K-562 GDSC1 5.267 12.5741 0.9546 20.5944
LP-1 GDSC1 5.2743 7.2656 3.5477 3.3959
KMOE-2 GDSC1 5.2759 8.9747 2.7346 9.3543
GDM-1 GDSC1 5.2815 8.1847 3.1199 6.4979
L-428 GDSC1 5.3262 6.9764 3.7087 2.1891
RPMI-8226 GDSC1 5.3621 10.5068 2.0477 13.8928
MLMA GDSC1 5.3833 7.6891 3.4192 4.0664
JJN-3 GDSC1 5.3864 7.3503 3.576 2.9644
OCI-M1 GDSC1 5.4056 9.1381 2.7462 8.907
Karpas-45 GDSC1 5.4264 7.9264 3.3359 4.5637
L-1236 GDSC1 5.459 8.8157 2.9374 7.3743
RC-K8 GDSC1 5.5034 10.0557 2.37 11.2998
ST486 GDSC1 5.5606 14.2735 0.337 22.615
Granta-519 GDSC1 5.6292 7.9618 3.4415 3.3961
HDLM-2 GDSC1 5.6365 8.3816 3.2549 4.668
WSU-NHL GDSC1 5.6727 12.5551 1.2696 17.6704
Raji GDSC1 5.7039 10.3217 2.3811 10.666
JVM-3 GDSC1 5.838 12.9454 1.1991 17.5724
KY821 GDSC1 5.8455 7.8452 3.6095 1.9545
P32/ISH GDSC1 5.8469 7.2115 3.8654 0.6392
VAL GDSC1 5.8628 13.4508 0.9693 18.7145
HL-60 GDSC1 5.885 7.2586 3.8635 0.6162
NU-DUL-1 GDSC1 5.8986 10.4721 2.4408 9.7433
WSU-DLCL2 GDSC1 5.9153 7.0322 3.9587 0.2706
ME1 GDSC1 5.9894 7.5761 3.7864 0.8551
SK-MM-2 GDSC1 5.9911 12.1148 1.7136 14.1864
THP-1 GDSC1 6.0147 9.3387 3.0444 5.3138
DoHH2 GDSC1 6.0713 23.0527 -3.6284 32.5541
IM-9 GDSC1 6.081 12.457 1.6107 14.555
MOLP-8 GDSC1 6.1373 7.5275 3.8657 0.4364
EJM GDSC1 6.1632 8.0934 3.6606 1.273
SUP-T1 GDSC1 6.1759 8.5488 3.4805 2.2289
NKM-1 GDSC1 6.178 13.7657 1.0433 17.4429
MN-60 GDSC1 6.2022 11.0014 2.3891 9.3331
KG-1 GDSC1 6.2322 7.9588 3.7434 0.8281
P31/FUJ GDSC1 6.2523 9.3827 3.1616 4.0702
OCI-AML-5 GDSC1 6.3113 7.5594 3.9197 0.2108
GA-10 GDSC1 6.3158 17.6412 -0.7579 24.7356
YT GDSC1 6.3255 7.921 3.796 0.5574
EB2 GDSC1 6.3911 10.2833 2.8381 5.9201
Kasumi-1 GDSC1 6.416 7.8438 3.8587 0.3174
JVM-2 GDSC1 6.5687 13.547 1.4209 14.3626
P30/OHK GDSC1 6.6613 13.6934 1.4132 14.1719
CA46 GDSC1 6.6682 15.3003 0.6438 18.1265
RS4;11 GDSC1 6.7566 14.789 0.9521 16.3871
TUR GDSC1 6.7612 13.8413 1.4095 13.9446
ROS-50 GDSC1 6.8161 14.3247 1.2154 14.8672
Reh GDSC1 7.4146 16.2962 0.6746 16.1556
RL GDSC1 8.8613 19.871 -0.0735 16.3314
⏷ Show the Full List of 145 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Aero Dig Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
TE-12 GDSC1 4.6561 9.9439 1.7843 17.9077
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Ascites Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COLO 684 GDSC1 2.6095 6.8356 1.4566 28.7777
Cancer Drug Sensitivity Data Curated from 26 Cell Line(s) in Autonomic Ganglia Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
GI-ME-N GDSC1 0.4259 9.7433 -2.062 49.4291
SJNB-14 GDSC1 4.3264 6.0601 3.4565 6.8085
NB1 GDSC1 4.3699 8.2808 2.3823 14.8837
Kelly GDSC1 4.3773 7.1188 2.9693 10.444
GOTO GDSC1 4.7287 7.4005 3.1071 8.1899
TGW GDSC1 4.7355 7.1257 3.248 7.0787
CHP-126 GDSC1 4.8862 9.3332 2.2697 13.8888
MHH-NB-11 GDSC1 5.1695 10.061 2.1245 13.9745
NB(TU)1 GDSC1 5.4106 8.7854 2.9194 7.6332
SJNB-10 GDSC1 5.536 7.7903 3.4646 3.4249
LA-N-6 GDSC1 5.5679 9.5747 2.6474 9.175
SJNB-17 GDSC1 5.8639 12.8666 1.2566 17.1837
SK-N-DZ GDSC1 6.0789 7.3145 3.9199 0.3025
SK-N-FI GDSC1 6.1453 7.724 3.796 0.6833
IMR-5 GDSC1 6.1674 15.3324 0.2688 21.1689
SJNB-13 GDSC1 6.1995 12.6207 1.614 14.2158
KP-N-YN GDSC1 6.2151 7.9411 3.7429 0.8446
KP-N-YS GDSC1 6.2331 14.3046 0.8199 18.4274
NB69 GDSC1 6.3036 8.294 3.6446 1.2039
SJNB-5 GDSC1 6.3066 8.1025 3.7201 0.8635
SiMa GDSC1 6.3645 13.4139 1.3451 15.3149
SK-N-BE(2)-M17 GDSC1 6.5916 8.2505 3.7802 0.4558
NH-12 GDSC1 6.6228 8.699 3.6265 0.9916
SJNB-6 GDSC1 6.7899 17.6745 -0.426 22.3331
SJNB-12 GDSC1 6.8809 8.6678 3.741 0.4279
SJNB-7 GDSC1 7.7869 19.8368 -0.7721 21.2356
⏷ Show the Full List of 26 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 21 Cell Line(s) in Bone Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
ES8 GDSC1 -0.0029 2.6548 -0.0688 53.7703
ES1 GDSC1 0.0234 9.4974 -2.36 51.6161
SJSA-1 GDSC1 1.2068 6.5277 0.1415 42.5429
EW-1 GDSC1 1.5286 7.0111 0.2747 40.0792
ES4 GDSC1 1.6979 4.7823 1.3205 34.9397
SK-ES-1 GDSC1 2.0368 6.9424 0.8278 35.0526
NOS-1 [Human HNSCC] GDSC1 2.517 7.6897 0.9701 31.7446
ES6 GDSC1 3.4268 5.3102 2.97 14.4173
EW-16 GDSC1 3.8253 7.3216 2.3905 16.9548
EW-22 GDSC1 4.8974 15.2968 -0.6936 28.5691
TC-71 GDSC1 4.9738 10.5555 1.7303 17.1604
ES7 GDSC1 5.0272 9.4191 2.3346 12.9784
EW-12 GDSC1 5.701 12.1433 1.4925 16.3232
SK-PN-DW GDSC1 5.7595 11.9856 1.6121 15.4495
EW-3 GDSC1 5.9932 9.2628 3.0663 5.2101
EW-24 GDSC1 6.0893 8.9442 3.2645 3.7006
EW-18 GDSC1 6.1854 11.5827 2.1024 11.2457
EW-13 GDSC1 6.9272 13.8025 1.5373 12.8263
ES5 GDSC1 7.169 10.6378 3.1027 2.989
H-EMC-SS GDSC1 7.2971 9.3203 3.6657 0.446
EW-11 GDSC1 7.8419 17.3556 0.4534 16.2117
⏷ Show the Full List of 21 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 14 Cell Line(s) in Breast Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
DU4475 GDSC1 3.2015 9.6933 0.6536 29.8274
HCC1599 GDSC1 4.7026 14.0366 -0.2219 27.5668
HCC2157 GDSC1 4.7583 6.7571 3.4461 5.4778
MRK-nu-1 GDSC1 5.4039 8.5567 3.0242 6.8838
HCC2218 GDSC1 5.5963 7.8575 3.4693 3.2728
HCC1187 GDSC1 5.7233 13.8824 0.6534 20.6849
CAL-148 GDSC1 5.8393 7.8626 3.599 2.0261
BT-474 GDSC1 6.2037 7.8793 3.7617 0.7756
Evsa-T GDSC1 6.2742 7.684 3.862 0.3738
COLO 824 GDSC1 6.5333 18.6955 -1.1155 25.3563
MFM-223 GDSC1 6.6021 8.3398 3.7519 0.5383
OCUB-M GDSC1 6.8682 8.7065 3.7223 0.487
UACC-812 GDSC1 6.9037 14.5287 1.1767 14.857
HCC1500 GDSC1 7.2304 21.166 -1.8163 25.7807
⏷ Show the Full List of 14 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 27 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SF539 GDSC1 1.5774 3.614 1.486 34.8519
SF268 GDSC1 1.866 4.9063 1.4621 33.0954
KALS-1 GDSC1 3.0092 6.4313 2.0419 23.1145
ONS-76 GDSC1 3.1467 5.6804 2.5201 19.0935
SNB-75 GDSC1 4.1163 6.4477 3.0832 10.5323
KINGS-1 GDSC1 4.3159 5.8266 3.5646 5.9943
8-MG-BA GDSC1 4.4519 7.0428 3.0682 9.4123
NMC-G1 GDSC1 4.8674 7.1556 3.33 6.0517
D-263MG GDSC1 5.1921 6.6928 3.7591 2.1054
KS-1 [Human Krukenberg tumour] GDSC1 5.1991 7.8118 3.2428 5.8006
Onda 10 GDSC1 5.2324 7.6707 3.3319 5.0559
GI-1 GDSC1 5.3995 7.1527 3.6716 2.2979
SF126 GDSC1 5.5496 8.6631 3.0693 6.1909
AM-38 GDSC1 5.9192 9.347 2.9829 5.9434
GB-1 GDSC1 5.9386 8.0848 3.5558 2.1341
D-392MG GDSC1 5.9648 9.3821 2.9946 5.7624
D-502MG GDSC1 6.0901 10.9587 2.3362 9.9608
CAS-1 GDSC1 6.1902 7.9593 3.7252 0.9431
Becker GDSC1 6.2268 7.572 3.8841 0.3336
D283 Med GDSC1 6.3735 7.6819 3.8997 0.2338
D-542MG GDSC1 6.3933 7.8697 3.841 0.3764
KNS-42 GDSC1 6.4168 7.5663 3.9545 0.1182
KNS-81-FD GDSC1 6.8095 8.5125 3.7692 0.3835
Onda 11 GDSC1 7.0286 8.9953 3.68 0.5311
D-336MG GDSC1 7.2939 9.1559 3.7219 0.313
D-247MG GDSC1 7.311 9.2659 3.6899 0.3798
U-87MG ATCC GDSC1 8.7012 20.111 -0.2893 17.5051
⏷ Show the Full List of 27 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Digestive System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
ETK-1 GDSC1 2.0096 7.5899 0.5102 36.426
TGBC1TKB GDSC1 6.3497 7.7697 3.8601 0.3431
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RL95-2 GDSC1 4.8314 8.4182 2.6814 11.0959
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
OS-RC-2 GDSC1 1.0089 10.3299 -1.7494 46.2338
TK-10 GDSC1 2.8335 5.7365 2.1733 23.1226
BB65-RCC GDSC1 4.1698 16.6098 -1.9492 34.2177
RCC10RGB GDSC1 4.577 5.9195 3.7245 3.865
RXF 393L GDSC1 5.2021 15.7901 -0.6962 27.6461
LB996-RCC GDSC1 6.0314 8.63 3.3704 3.1243
A-498 GDSC1 6.1863 7.5166 3.8885 0.3403
LB1047-RCC GDSC1 6.2861 8.7448 3.4535 2.2285
LB2241-RCC GDSC1 6.4335 9.3773 3.2614 3.1393
HA7-RCC GDSC1 6.6507 11.561 2.4099 8.1666
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 15 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LS411N GDSC1 -0.2259 5.1225 -0.8809 54.6187
KM12 GDSC1 1.0918 5.5333 0.405 42.7516
COLO 320HSR GDSC1 1.6876 4.8544 1.2858 35.185
HCC2998 GDSC1 2.4236 5.0359 2.0193 26.3825
LS1034 GDSC1 4.039 8.2397 2.1225 17.9802
RKO GDSC1 4.6966 7.9708 2.7996 10.6487
LS513 GDSC1 5.079 6.8722 3.6089 3.3998
MDST8 GDSC1 5.2213 10.048 2.1695 13.5094
NCI-H747 GDSC1 5.3553 7.929 3.2897 5.0644
C2BBe1 GDSC1 5.7398 8.3492 3.3312 3.9237
LS123 GDSC1 6.6581 8.4588 3.7305 0.5757
CL-11 GDSC1 6.8089 8.8023 3.6643 0.7085
SNU-C1 GDSC1 6.8306 17.5677 -0.3445 21.9236
CW-2 GDSC1 7.0396 8.7008 3.7876 0.2561
NCI-H716 GDSC1 7.3957 16.0091 0.7987 15.6036
⏷ Show the Full List of 15 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Leukemia Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MO-T GDSC1 6.6049 8.288 3.7718 0.4742
Cancer Drug Sensitivity Data Curated from 64 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H209 GDSC1 2.6095 7.6093 1.0989 30.6456
NCI-H23 GDSC1 2.6638 6.6884 1.5782 27.7958
NCI-H526 GDSC1 3.0927 5.9541 2.3431 20.6255
NCI-H82 GDSC1 3.2553 7.1579 1.94 22.5982
HOP-62 GDSC1 3.3521 6.6748 2.2642 19.9397
Lu-139 GDSC1 3.424 7.3451 2.0095 21.3596
NCI-H1975 GDSC1 3.4325 5.8752 2.7197 16.2518
Lu-65 GDSC1 3.6846 6.2842 2.7696 14.7351
IST-SL1 GDSC1 3.8399 7.8645 2.1345 18.706
NCI-H1963 GDSC1 4.1023 7.3801 2.6061 14.2479
CPC-N GDSC1 4.3188 7.8323 2.5641 13.7404
NCI-H720 GDSC1 4.3835 7.5278 2.77 11.9541
LC-2/ad GDSC1 4.5268 6.3836 3.4565 6.1183
SHP-77 GDSC1 4.5437 6.9014 3.212 7.9766
NCI-H211 GDSC1 4.5497 9.7927 1.774 18.3512
NCI-H524 GDSC1 4.658 8.5013 2.5052 12.9707
NCI-H1876 GDSC1 4.8717 7.3774 3.2246 6.847
NCI-H1355 GDSC1 4.9599 7.092 3.4258 5.0625
HCC33 GDSC1 4.9651 8.7142 2.636 11.0068
Calu-6 GDSC1 5.0073 7.3244 3.3464 5.5338
Lu-134-A GDSC1 5.04 11.3694 1.3773 19.0444
NCI-H1304 GDSC1 5.0607 9.9494 2.0976 14.4998
NCI-H345 GDSC1 5.139 6.4029 3.8576 1.5559
NCI-H2196 GDSC1 5.1584 8.8244 2.724 9.7729
NCI-H2171 GDSC1 5.3074 17.986 -1.7072 30.3067
SBC-1 GDSC1 5.3079 7.1459 3.6224 2.8047
NCI-H64 GDSC1 5.3386 8.7153 2.904 7.9387
NCI-H69 GDSC1 5.3397 9.1116 2.7131 9.3303
NCI-H2227 GDSC1 5.3414 7.3336 3.557 3.1878
NCI-H1155 GDSC1 5.4343 8.7129 2.9699 7.2018
NCI-H1299 GDSC1 5.5103 9.0641 2.8532 7.8519
DMS 79 GDSC1 5.5625 11.0685 1.9183 14.1341
NCI-H1836 GDSC1 5.6149 9.806 2.5683 9.6076
LB647-SCLC GDSC1 5.6283 12.3257 1.3497 17.356
COR-L88 GDSC1 5.6664 12.7883 1.1503 18.3393
NCI-H510A GDSC1 5.7067 8.5186 3.2345 4.6584
DMS 114 GDSC1 5.7195 7.8713 3.5321 2.6324
NCI-H1581 GDSC1 5.7421 7.6578 3.636 1.9517
NCI-H1092 GDSC1 5.7766 8.7054 3.1911 4.8102
COR-L95 GDSC1 5.788 14.306 0.4928 21.2447
NCI-H748 GDSC1 5.8412 16.4901 -0.547 25.2851
NCI-H1694 GDSC1 6.0178 7.8713 3.6826 1.3251
NCI-H187 GDSC1 6.0278 15.1447 0.258 21.6037
NCI-H847 GDSC1 6.1004 12.8401 1.4386 15.5003
NCI-H226 GDSC1 6.1265 9.7955 2.9028 6.0401
NCI-H2081 GDSC1 6.1605 8.1969 3.6178 1.493
NCI-H2135 GDSC1 6.1984 7.5965 3.8644 0.4062
NCI-H2141 GDSC1 6.286 7.8283 3.8143 0.519
Ms-1 GDSC1 6.2882 11.0356 2.4281 8.8691
COLO 668 GDSC1 6.3204 16.4892 -0.1872 22.6348
NCI-H1650 GDSC1 6.3972 12.4964 1.808 12.5421
EKVX GDSC1 6.448 13.4311 1.3943 14.8217
NCI-H1648 GDSC1 6.7431 9.0339 3.5494 1.2184
LXF 289 GDSC1 6.7964 9.0672 3.5594 1.1276
NCI-H1436 GDSC1 6.8438 8.3476 3.839 0.2121
Lu-165 GDSC1 6.884 14.434 1.2087 14.7356
NCI-H1838 GDSC1 7.0177 12.1249 2.3723 7.634
NCI-H1869 GDSC1 7.0979 10.4321 3.153 2.8079
IST-SL2 GDSC1 7.4012 18.3138 -0.3037 20.387
NCI-H446 GDSC1 7.7233 17.4499 0.3304 17.024
NCI-H1770 GDSC1 8.2888 25.9938 -3.4122 27.4822
NCI-H1666 GDSC1 8.6899 18.9386 0.254 15.3103
NCI-H322M GDSC1 9.1645 20.2379 -0.0534 15.6625
NCI-H128 GDSC1 11.4571 34.7013 -5.4112 26.0914
⏷ Show the Full List of 64 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Lymphoma Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
CBTCi002-A GDSC1 6.5354 8.5511 3.6459 0.9834
Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Oesophagus Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
TE-1 GDSC1 3.353 7.9456 1.6505 23.9725
TE-5 GDSC1 4.2275 6.2206 3.2928 8.4629
TE-6 GDSC1 4.3733 7.0034 3.0238 10.0356
TE-9 GDSC1 5.3316 7.2826 3.5744 3.0874
EC-GI-10 GDSC1 5.7436 8.888 3.0869 5.6106
TE-10 GDSC1 5.9617 11.1807 2.1441 11.5579
TE-15 GDSC1 6.3588 9.0829 3.3481 2.7354
TE-8 GDSC1 6.6476 9.7289 3.2223 3.0447
⏷ Show the Full List of 8 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
ES-2 GDSC1 0.8981 5.5759 0.181 44.722
OVCAR-4 GDSC1 2.1459 5.5303 1.5348 30.9621
Kuramochi GDSC1 4.2796 6.2228 3.336 7.9293
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PSN1 GDSC1 3.4997 7.4919 2.0086 21.0245
MZ-PC-1 GDSC1 4.3197 6.5342 3.214 8.7416
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Pleura Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MSTO-211H GDSC1 2.8935 5.469 2.3491 21.5958
IST-Mes1 GDSC1 5.4735 7.5809 3.5227 3.1538
MPP 89 GDSC1 6.0581 7.7454 3.7506 0.9521
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
VCaP GDSC1 5.4451 7.4977 3.5437 3.0672
LNCaP clone FGC GDSC1 6.5092 24.199 -3.8578 31.9999
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Salivary Gland Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
A-253 GDSC1 4.4828 7.0134 3.1078 8.9965
Cancer Drug Sensitivity Data Curated from 19 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COLO 829 GDSC1 0.8097 77.8646 -35.4157 49.6526
UACC-257 GDSC1 1.5478 11.7997 -1.922 43.8359
IST-MEL1 GDSC1 1.9711 8.1841 0.1998 37.6666
HT-144 GDSC1 2.7237 6.2792 1.8229 25.9985
MZ-MEL-7 GDSC1 4.2435 15.5358 -1.3504 32.5582
LOX-IMVI GDSC1 4.3452 10.2752 1.3646 21.5558
A-388 GDSC1 4.8193 7.355 3.1973 7.214
CP66-MEL GDSC1 5.4401 6.8191 3.8362 1.2209
SK-MEL-1 GDSC1 5.5862 7.6357 3.5622 2.6744
LB2518-MEL GDSC1 5.6615 10.8077 2.1163 12.5636
SH-4 GDSC1 5.7332 9.0651 2.9979 6.2624
A101D GDSC1 5.9857 7.6809 3.7437 1.0561
DJM-1 GDSC1 6.1006 8.2598 3.5635 1.861
GAK GDSC1 6.1586 7.4025 3.9186 0.2707
LB373-MEL-D GDSC1 6.2057 7.4071 3.9343 0.2147
COLO 800 GDSC1 6.317 15.3236 0.3822 20.2601
MMAc-SF GDSC1 6.5267 8.0603 3.8235 0.3629
MZ-MEL-2 GDSC1 6.535 8.1089 3.8093 0.3987
SK-MEL-2 GDSC1 6.6578 23.1152 -3.2061 30.4197
⏷ Show the Full List of 19 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Small Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HuTu 80 GDSC1 3.5384 7.1905 2.1919 19.6011
Cancer Drug Sensitivity Data Curated from 9 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
VA-ES-BJ GDSC1 3.5482 5.7766 2.88 14.5135
SW872 GDSC1 4.4691 5.8152 3.6941 4.4434
EW-8 GDSC1 5.496 10.0263 2.3791 11.2577
MFH-ino GDSC1 5.7748 8.847 3.125 5.2737
SK-LMS-1 GDSC1 5.9858 13.0255 1.2668 16.7805
SW684 GDSC1 6.1428 7.8116 3.7617 0.8264
KYM-1 GDSC1 6.7938 15.1241 0.8163 16.9722
SK-UT-1 GDSC1 6.9857 8.6723 3.778 0.2939
TE 441.T GDSC1 8.6604 25.0174 -2.671 25.0446
⏷ Show the Full List of 9 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
ECC12 GDSC1 1.3812 5.7798 0.6232 40.0191
RF-48 GDSC1 3.6725 7.158 2.332 18.0237
SNU-1 GDSC1 3.7573 13.4868 -0.7392 32.541
GCIY GDSC1 4.1176 9.8391 1.3913 22.2721
SCH GDSC1 4.8239 9.3406 2.2177 14.4565
SNU-5 GDSC1 5.0264 7.6796 3.1878 6.6818
HSC-39 GDSC1 5.0585 9.4864 2.3249 12.9475
SNU-16 GDSC1 6.3184 12.5989 1.7059 13.3581
⏷ Show the Full List of 8 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Thyroid Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
CGTH-W-1 GDSC1 3.9249 8.6264 1.8304 20.3812
K5 GDSC1 4.8802 9.6789 2.0933 15.119
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
BB30-HNC GDSC1 4.229 6.6846 3.0623 10.2638
LB771-HNC GDSC1 5.9262 8.4621 3.3865 3.2047
BB49-HNC GDSC1 6.0594 11.3647 2.1222 11.4435
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Urogenital System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NEC8 GDSC1 0.9689 4.9566 0.4716 43.5449
DSH1 GDSC1 2.3038 6.72 1.1989 31.8204
NCC-IT GDSC1 2.713 5.8868 1.9839 25.0222
JAR GDSC1 4.0213 6.2063 3.1188 10.6312
NT2-D1 GDSC1 5.3045 9.5683 2.4657 11.2056
OMC-1 [Human cervical carcinoma] GDSC1 5.4047 7.6067 3.4702 3.6596
LB831-BLC GDSC1 5.4935 7.3808 3.6233 2.4436
KGN GDSC1 5.5007 12.1323 1.3503 17.7368
SW954 GDSC1 5.548 9.6498 2.5976 9.5819
SW962 GDSC1 6.3125 12.8435 1.5842 14.0908
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Pyrimethamine (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Sodium bicarbonate DMMU6BJ Moderate Decreased absorption of Pyrimethamine due to adsorption of Sodium bicarbonate. Acidosis [5C73] [16]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Beta-D-lactose E00099 6134 Diluent; Dry powder inhaler carrier; Lyophilization aid
Lactose monohydrate E00393 104938 Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate E00208 11177 lubricant
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Pyrimethamine 25 mg tablet 25 mg Oral Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4800).
2 BDDCS applied to over 900 drugs
3 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
7 Expression of Organic Anion Transporter 1 or 3 in Human Kidney Proximal Tubule Cells Reduces Cisplatin Sensitivity. Drug Metab Dispos. 2018 May;46(5):592-599.
8 Mutant Gly482 and Thr482 ABCG2 mediate high-level resistance to lipophilic antifolates. Cancer Chemother Pharmacol. 2006 Dec;58(6):826-34.
9 Crystal structure of -hexosaminidase B in complex with pyrimethamine, a potential pharmacological chaperone. J Med Chem. 2011 Mar 10;54(5):1421-9. doi: 10.1021/jm101443u. Epub 2011 Jan 25.
10 Palmitate increases the susceptibility of cells to drug-induced toxicity: an in vitro method to identify drugs with potential contraindications in patients with metabolic disease. Toxicol Sci. 2012 Oct;129(2):346-62. doi: 10.1093/toxsci/kfs208. Epub 2012 Jun 14.
11 Pyrimethamine induces apoptosis of melanoma cells via a caspase and cathepsin double-edged mechanism. Cancer Res. 2008 Jul 1;68(13):5291-300. doi: 10.1158/0008-5472.CAN-08-0222.
12 Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
13 Inhibition of glutathione S-transferases by antimalarial drugs possible implications for circumventing anticancer drug resistance. Int J Cancer. 2002 Feb 10;97(5):700-5.
14 Antifolate activity of pyrimethamine enhances temozolomide-induced cytotoxicity in melanoma cells. Mol Cancer Res. 2009 May;7(5):703-12. doi: 10.1158/1541-7786.MCR-08-0263. Epub 2009 May 12.
15 Systems pharmacological analysis of drugs inducing stevens-johnson syndrome and toxic epidermal necrolysis. Chem Res Toxicol. 2015 May 18;28(5):927-34. doi: 10.1021/tx5005248. Epub 2015 Apr 3.
16 Cerner Multum, Inc. "UK Summary of Product Characteristics.".