Details of the Drug

General Information of Drug (ID: DMSH108)

Drug Name
R-roscovitine
Synonyms
Seliciclib; roscovitine; 186692-46-6; R-Roscovitine; (R)-roscovitine; CYC202; CYC-202; CYC 202; 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; UNII-0ES1C2KQ94; Roscovitine (Seliciclib,CYC202); NSC 701554; AL-39256; Roscovitine; CHEMBL14762; 0ES1C2KQ94; CHEBI:45307; NSC701554; NSC-701554; (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol; (R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol; (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; RRC; Rosco; M02443; BMK1-E12; CYC202, Seliciclib, R-roscovitine, Roscovitine; (2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol; 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-(R)-1-butanol; 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25.Y Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [2]
Nasopharyngeal carcinoma 2B6B Investigative [3]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 354.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H26N6O
IUPAC Name
(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Canonical SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3
InChI
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKey
BTIHMVBBUGXLCJ-OAHLLOKOSA-N
Cross-matching ID
PubChem CID
160355
ChEBI ID
CHEBI:45307
CAS Number
186692-46-6
UNII
0ES1C2KQ94
DrugBank ID
DB06195
TTD ID
D05ADP
VARIDT ID
DR01494
INTEDE ID
DR1858
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
Cyclin-dependent kinase (CDK) TTMBO1Z NOUNIPROTAC Inhibitor [3]
Cyclin-dependent kinase 1 (CDK1) TTH6V3D CDK1_HUMAN Inhibitor [4]
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [4]
Cyclin-dependent kinase 7 (CDK7) TTQYF7G CDK7_HUMAN Inhibitor [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [6]
Cytochrome P450 2B6 (CYP2B6) DEPKLMQ CP2B6_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [7]
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Gene/Protein Processing [7]
Casein kinase I isoform delta (CSNK1D) OTNF4S77 KC1D_HUMAN Gene/Protein Processing [8]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Gene/Protein Processing [9]
Caspase-9 (CASP9) OTD4RFFG CASP9_HUMAN Gene/Protein Processing [9]
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Gene/Protein Processing [10]
Cyclin-A2 (CCNA2) OTPHHYZJ CCNA2_HUMAN Gene/Protein Processing [11]
Cyclin-dependent kinase 5 (CDK5) OT1YAK9F CDK5_HUMAN Gene/Protein Processing [12]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [13]
Cytochrome c (CYCS) OTBFALJD CYC_HUMAN Protein Interaction/Cellular Processes [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Non-small-cell lung cancer
ICD Disease Classification 2C25.Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cyclin-dependent kinase 1 (CDK1) DTT CDK1 5.27E-108 1.97 3.12
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
P-glycoprotein 1 (ABCB1) DTP P-GP 3.12E-33 -8.30E-01 -1.04E+00
Cytochrome P450 2B6 (CYP2B6) DME CYP2B6 2.81E-03 -9.34E-02 -3.57E-01
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 5.59E-39 -3.76E-01 -1.64E+00
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 4.303 5.9291 3.2749 4.7104
A3/Kawakami GDSC1 2.4592 3.7683 2.3756 19.8004
SUP-HD1 GDSC1 2.7692 4.9474 2.3171 18.5164
GA-10 GDSC1 2.8205 4.6834 2.4782 17.0944
SR GDSC1 2.9688 3.8837 2.9041 13.3096
SIG-M5 GDSC1 3.0355 4.0894 2.9217 12.8097
697 GDSC1 3.1174 4.8974 2.7006 13.9669
SU-DHL-8 GDSC1 3.1803 5.851 2.3264 16.4607
Jiyoye GDSC1 3.2072 4.8884 2.7969 12.8132
SCC-3 GDSC1 3.288 4.7174 2.9546 11.2478
MC116 GDSC1 3.3011 3.7898 3.2827 8.8537
Loucy GDSC1 3.3016 4.5955 3.0208 10.6922
MOLM-13 GDSC1 3.323 4.7007 2.9979 10.7546
PL-21 GDSC1 3.3562 5.8669 2.4877 14.4607
MV4-11 GDSC1 3.4204 4.1152 3.3327 7.831
BL-41 GDSC1 3.421 5.4713 2.7397 12.2524
SUP-M2 GDSC1 3.4969 3.9475 3.4644 6.5002
SU-DHL-4 GDSC1 3.5552 5.2201 2.9887 9.7466
Karpas-299 GDSC1 3.5628 5.8409 2.6938 11.9933
A4/Fukuda GDSC1 3.6326 4.6822 3.3192 6.8668
SU-DHL-6 GDSC1 3.6452 4.7406 3.3043 6.9229
JSC-1 GDSC1 3.679 5.4303 3.0024 9.1118
HT GDSC1 3.6863 5.0555 3.1924 7.604
DND-41 GDSC1 3.6906 5.2873 3.0833 8.434
RPMI-8402 GDSC1 3.7221 6.421 2.5508 12.4488
Raji GDSC1 3.7297 6.071 2.7314 11.0192
VAL GDSC1 3.7671 5.5118 3.0423 8.4406
RS4;11 GDSC1 3.7742 5.7955 2.9078 9.4653
MOLT-16 GDSC1 3.8134 4.7193 3.4751 4.8688
OCI-AML-2 GDSC1 3.8266 5.4905 3.1057 7.7068
CTV-1 GDSC1 3.8582 5.1189 3.3184 5.9116
KCL-22 GDSC1 3.8918 6.0241 2.8965 9.0992
Karpas-422 GDSC1 3.9566 6.7175 2.6049 11.1331
BC-3 GDSC1 3.9598 6.4101 2.7613 9.9045
NK-92MI GDSC1 3.961 5.2749 3.3298 5.4283
MHH-PREB-1 GDSC1 3.9663 5.5224 3.2105 6.3494
WIL2 NS GDSC1 3.99 6.0603 2.9615 8.2245
Ku812 GDSC1 3.9979 5.5077 3.2444 5.9668
Ramos.2G6.4C10 GDSC1 4.0085 5.8343 3.0899 7.1462
JJN-3 GDSC1 4.0235 5.0893 3.4748 4.0578
Sc-1 GDSC1 4.0235 5.3807 3.3291 5.2068
ST486 GDSC1 4.0417 6.8145 2.6274 10.6483
Farage GDSC1 4.0658 5.7138 3.1973 6.0961
L-540 GDSC1 4.0912 5.6879 3.2308 5.7443
DoHH2 GDSC1 4.0959 10.1402 1.0095 21.4738
Karpas-231 GDSC1 4.1082 5.8428 3.1672 6.1862
Daudi GDSC1 4.1132 11.775 0.2064 25.4514
OCI-Ly19 GDSC1 4.1257 5.6505 3.277 5.2629
NOMO-1 GDSC1 4.1288 7.326 2.4431 11.752
BALL-1 GDSC1 4.1535 5.5184 3.3646 4.4825
LC4-1 GDSC1 4.1539 6.2176 3.0167 7.2133
OCI-AML-5 GDSC1 4.1605 5.1069 3.574 2.8213
Namalwa GDSC1 4.165 6.1119 3.0782 6.693
SUP-B15 GDSC1 4.168 6.5032 2.8855 8.1934
AMO1 GDSC1 4.1961 5.6139 3.3501 4.4575
Mono-Mac-6 GDSC1 4.2077 7.5435 2.3982 11.8156
NALM-6 GDSC1 4.2139 6.9872 2.6807 9.6318
BC-1 GDSC1 4.2356 7.497 2.4437 11.3746
VL51 GDSC1 4.2385 6.0074 3.1874 5.5947
QIMR-WIL GDSC1 4.2533 6.2019 3.1024 6.2122
LP-1 GDSC1 4.2716 6.1515 3.1414 5.8488
KY821 GDSC1 4.3023 6.336 3.0734 6.2818
CCRF-CEM GDSC1 4.317 6.6012 2.9532 7.1721
HH [Human lymphoma] GDSC1 4.3484 6.7347 2.911 7.4001
MOLP-8 GDSC1 4.3498 24.0593 -5.7397 38.2918
HC-1 GDSC1 4.3558 8.7523 1.9134 14.831
OPM-2 GDSC1 4.3579 5.9735 3.2933 4.403
MY-M12 GDSC1 4.3616 5.839 3.3617 3.8661
DG-75 GDSC1 4.369 6.1425 3.2186 4.9482
SU-DHL-16 GDSC1 4.3709 5.6723 3.4492 3.1704
Karpas-45 GDSC1 4.3826 6.2573 3.1721 5.2669
MOLT-4 GDSC1 4.4141 6.5641 3.0446 6.1596
SU-DHL-1 GDSC1 4.4163 9.8251 1.4267 17.8454
NU-DUL-1 GDSC1 4.4235 6.0733 3.2916 4.227
OCI-AML-3 GDSC1 4.4796 6.0497 3.3421 3.6874
KOPN-8 GDSC1 4.4853 7.2414 2.7638 8.1088
KE-37 GDSC1 4.4891 6.4095 3.1745 4.9378
L-1236 GDSC1 4.5021 7.3352 2.7301 8.3151
ML-2 GDSC1 4.5087 6.9067 2.9457 6.6384
NKM-1 GDSC1 4.5303 7.8927 2.476 10.1583
GDM-1 GDSC1 4.531 6.9058 2.9623 6.4445
EJM GDSC1 4.6061 6.4887 3.2174 4.2914
RPMI-6666 GDSC1 4.6302 7.6586 2.6656 8.417
HL-60 GDSC1 4.6308 6.8364 3.0669 5.3616
K-562 GDSC1 4.6312 6.1249 3.4062 2.83
ROS-50 GDSC1 4.6384 7.8349 2.585 9.0017
RPMI-8866 GDSC1 4.6395 6.8222 3.0797 5.2408
CTB-1 GDSC1 4.6725 6.3624 3.3212 3.3516
ARH-77 GDSC1 4.7133 8.5237 2.3016 10.8807
CESS GDSC1 4.7625 8.6429 2.2793 10.8926
PF-382 GDSC1 4.7891 8.9845 2.1309 11.8799
MLMA GDSC1 4.7946 7.3179 2.9474 5.8197
ALL-PO GDSC1 4.805 8.5795 2.3415 10.31
Hs 445 GDSC1 4.8548 8.3602 2.4847 9.11
TK [Human B-cell lymphoma] GDSC1 4.8594 6.5831 3.3349 2.8287
OCI-M1 GDSC1 4.8697 6.158 3.5306 1.4988
MN-60 GDSC1 4.9051 7.0336 3.1548 4.0107
L-363 GDSC1 4.9303 6.8928 3.2358 3.374
DB GDSC1 4.9405 9.39 2.043 12.0396
HEL GDSC1 4.9523 10.2436 1.632 14.7752
NB4 GDSC1 4.9797 16.4915 -1.4492 28.7089
JURL-MK1 GDSC1 4.9975 6.9236 3.2621 3.0454
BE-13 GDSC1 5.1302 6.854 3.3684 2.0841
RC-K8 GDSC1 5.1634 9.37 2.2119 10.2062
CA46 GDSC1 5.1639 10.2609 1.7786 13.1749
EHEB GDSC1 5.1712 9.2934 2.2544 9.8831
H9 GDSC1 5.1765 10.2986 1.7692 13.2001
P32/ISH GDSC1 5.1999 6.6383 3.4959 1.214
KMOE-2 GDSC1 5.2013 8.559 2.6271 7.1252
SKM-1 GDSC1 5.2059 6.4367 3.5801 0.7696
HAL-01 GDSC1 5.2599 7.5398 3.1371 3.3706
MEG-01 GDSC1 5.3123 11.3879 1.3345 15.549
L-428 GDSC1 5.3787 7.2532 3.3279 1.9323
YT GDSC1 5.3817 7.5709 3.1921 2.7768
EM-2 GDSC1 5.4275 7.0314 3.4441 1.2075
ALL-SIL GDSC1 5.5397 7.6048 3.2614 2.0859
RPMI-8226 GDSC1 5.6247 12.231 1.1474 15.7517
TUR GDSC1 5.6769 7.3649 3.4254 1.0258
Granta-519 GDSC1 5.7177 7.876 3.2372 1.9692
EB2 GDSC1 5.7243 7.6572 3.3304 1.4486
WSU-DLCL2 GDSC1 5.7502 6.7338 3.6853 0.1111
ATN-1 GDSC1 5.7741 14.6363 0.0782 20.7865
IM-9 GDSC1 5.7791 6.9684 3.6148 0.2482
Reh GDSC1 5.7897 7.3169 3.4923 0.6377
KM-H2 GDSC1 5.8122 7.6754 3.3636 1.1822
ME1 GDSC1 5.8163 6.9003 3.6519 0.1534
KG-1 GDSC1 5.8655 7.6427 3.4 0.9602
JVM-2 GDSC1 5.9594 8.1438 3.2439 1.6204
P31/FUJ GDSC1 5.9697 7.362 3.5468 0.3462
DEL GDSC1 6.0183 12.2777 1.3984 13.2154
THP-1 GDSC1 6.135 8.0167 3.3717 0.85
JVM-3 GDSC1 6.1373 7.8547 3.4332 0.6146
SK-MM-2 GDSC1 6.1668 7.7485 3.4835 0.433
HDLM-2 GDSC1 6.1675 10.2955 2.4226 6.3347
BV-173 GDSC1 6.2403 12.4147 1.4812 12.1593
WSU-NHL GDSC1 6.349 8.0659 3.4393 0.4718
EoL-1 GDSC1 6.3955 7.744 3.5685 0.1532
U-698-M GDSC1 6.4193 14.91 0.4059 17.5369
RL GDSC1 6.4498 7.833 3.5573 0.159
Kasumi-1 GDSC1 6.4684 8.0569 3.4871 0.2925
U266B1 GDSC1 6.4704 8.1854 3.4427 0.4033
P30/OHK GDSC1 6.5488 8.2764 3.4398 0.3769
LAMA-84 GDSC1 6.566 8.6016 3.3292 0.7039
GR-ST GDSC1 6.7123 8.8918 3.2807 0.7798
SUP-T1 GDSC1 6.8058 8.5645 3.4333 0.2961
⏷ 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 4.1839 5.9676 3.1649 5.9491
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Ascites Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COLO 684 GDSC1 4.4811 7.7041 2.5321 9.8911
Cancer Drug Sensitivity Data Curated from 26 Cell Line(s) in Autonomic Ganglia Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NB1 GDSC1 3.1556 5.5541 2.4419 15.7127
GOTO GDSC1 3.6751 5.9172 2.7588 11.0255
MHH-NB-11 GDSC1 3.8689 5.3778 3.199 6.8087
TGW GDSC1 3.8721 5.2476 3.2666 6.2647
SK-N-BE(2)-M17 GDSC1 4.0235 5.9598 3.0396 7.4886
SJNB-10 GDSC1 4.2821 5.9951 3.2267 5.1499
SK-N-FI GDSC1 4.2948 6.1064 3.1812 5.4646
Kelly GDSC1 4.3562 5.9742 3.2917 4.4211
NB(TU)1 GDSC1 4.5149 6.7056 3.0486 5.8288
IMR-5 GDSC1 4.5276 7.0783 2.8753 7.1231
GI-ME-N GDSC1 4.6908 9.1979 1.9519 13.4489
SK-N-DZ GDSC1 4.9621 7.1839 3.1206 4.1257
LA-N-6 GDSC1 5.0018 7.9854 2.7676 6.6116
CHP-126 GDSC1 5.4436 7.0383 3.4489 1.1633
SJNB-5 GDSC1 5.6558 7.424 3.3923 1.2096
SJNB-6 GDSC1 5.6801 7.4093 3.4093 1.0995
SiMa GDSC1 5.7479 9.6386 2.4701 6.9212
SJNB-13 GDSC1 5.8852 7.4542 3.48 0.6154
SJNB-14 GDSC1 5.9426 7.7187 3.404 0.8746
NB69 GDSC1 5.9711 7.7232 3.4143 0.8079
KP-N-YN GDSC1 6.0396 15.7661 -0.2819 21.6118
SJNB-7 GDSC1 6.154 8.1695 3.3214 1.046
SJNB-17 GDSC1 6.1553 8.3802 3.2396 1.4228
KP-N-YS GDSC1 6.2153 11.2901 1.9942 9.0218
NH-12 GDSC1 6.5312 7.9749 3.5376 0.1725
SJNB-12 GDSC1 6.6108 8.5807 3.3545 0.5932
⏷ Show the Full List of 26 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 20 Cell Line(s) in Bone Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NOS-1 [Human HNSCC] GDSC1 3.2974 5.9955 2.3697 15.6101
SK-ES-1 GDSC1 3.8669 6.2544 2.7601 10.262
ES8 GDSC1 3.9023 6.1294 2.8528 9.4025
ES4 GDSC1 4.5072 6.4217 3.1814 4.8335
EW-16 GDSC1 4.66 7.2361 2.8936 6.5969
H-EMC-SS GDSC1 4.708 7.03 3.0267 5.4558
EW-1 GDSC1 4.8508 8.7114 2.3103 10.4012
ES6 GDSC1 4.9202 11.7436 0.8658 19.4445
SK-PN-DW GDSC1 4.945 7.5781 2.924 5.6034
EW-18 GDSC1 5.4298 8.5383 2.7829 5.4666
ES1 GDSC1 5.5184 16.9392 -1.2518 26.5809
EW-24 GDSC1 5.601 7.0523 3.5135 0.7008
ES7 GDSC1 5.957 10.6165 2.1458 8.6284
EW-13 GDSC1 6.2654 9.8303 2.6861 4.4488
EW-12 GDSC1 6.3517 8.5922 3.2436 1.2101
TC-71 GDSC1 6.5581 8.0487 3.522 0.1931
EW-3 GDSC1 6.7521 8.6393 3.3874 0.4272
SJSA-1 GDSC1 7.0234 20.8939 -2.0789 25.3531
ES5 GDSC1 7.2846 9.9609 3.1153 0.9922
EW-11 GDSC1 7.3539 10.5515 2.9204 1.7231
⏷ Show the Full List of 20 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 13 Cell Line(s) in Breast Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HCC2218 GDSC1 3.8906 7.901 1.9576 16.2083
HCC1599 GDSC1 3.9095 5.447 3.1997 6.6469
MRK-nu-1 GDSC1 4.1919 6.7817 2.7657 9.0475
HCC1187 GDSC1 4.5479 6.2852 3.2755 4.0079
CAL-148 GDSC1 4.9023 12.7165 0.369 22.0346
OCUB-M GDSC1 5.067 9.5759 2.0435 11.6609
HCC2157 GDSC1 5.1425 7.2394 3.2042 3.1479
Evsa-T GDSC1 5.1436 7.1341 3.2522 2.8215
BT-474 GDSC1 5.1552 6.9539 3.3384 2.2327
DU4475 GDSC1 5.1786 10.4856 1.6793 13.7827
MFM-223 GDSC1 6.0096 7.8668 3.3758 0.9374
UACC-812 GDSC1 6.1289 8.824 3.0462 2.4852
COLO 824 GDSC1 6.425 8.7833 3.2014 1.3316
⏷ Show the Full List of 13 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
Becker GDSC1 3.1374 5.5086 2.4451 15.7734
D-247MG GDSC1 3.3648 5.6913 2.5804 13.718
KS-1 [Human Krukenberg tumour] GDSC1 3.7447 8.1904 1.6884 18.6321
GI-1 GDSC1 4.1989 13.253 -0.4618 27.8733
D-542MG GDSC1 4.4783 12.6188 0.0824 24.7336
KALS-1 GDSC1 4.5598 8.1831 2.3547 10.9698
SF126 GDSC1 4.5634 6.0488 3.3985 3.0494
GB-1 GDSC1 4.5716 10.04 1.4421 17.2179
ONS-76 GDSC1 4.6022 6.2007 3.352 3.297
NMC-G1 GDSC1 4.6275 12.1581 0.4314 22.6287
CAS-1 GDSC1 4.7478 6.4152 3.3441 3.0089
KNS-42 GDSC1 4.7515 6.9402 3.0992 4.7972
D-263MG GDSC1 4.7851 8.8508 2.1937 11.4427
KNS-81-FD GDSC1 4.9678 10.4688 1.5325 15.3653
8-MG-BA GDSC1 5.1134 8.0036 2.8326 5.8528
U-87MG ATCC GDSC1 5.1305 7.9172 2.8843 5.4364
Onda 11 GDSC1 5.1343 8.5121 2.6049 7.4589
SF268 GDSC1 5.1425 9.9675 1.9065 12.3811
D-502MG GDSC1 5.389 9.0936 2.4969 7.5866
SF539 GDSC1 5.8514 8.9997 2.8224 4.3285
KINGS-1 GDSC1 5.8542 8.4351 3.0705 2.7505
Onda 10 GDSC1 5.9592 16.225 -0.5665 22.9628
D283 Med GDSC1 6.0133 11.3658 1.8295 10.5572
AM-38 GDSC1 6.026 7.8683 3.3822 0.896
SNB-75 GDSC1 6.1696 14.7234 0.3212 18.5902
D-392MG GDSC1 6.4772 14.7896 0.5041 16.9107
D-336MG GDSC1 6.6437 26.4457 -5.1029 32.6114
⏷ 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
TGBC1TKB GDSC1 5.0112 7.0393 3.2175 3.3274
ETK-1 GDSC1 5.6865 12.2651 1.1747 15.4212
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RL95-2 GDSC1 6.163 7.4936 3.5718 0.2098
Cancer Drug Sensitivity Data Curated from 9 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
BB65-RCC GDSC1 3.5075 25.0552 -6.9408 41.2695
OS-RC-2 GDSC1 3.7262 7.516 2.0089 16.4804
LB2241-RCC GDSC1 4.4091 9.6554 1.5056 17.3711
LB996-RCC GDSC1 4.6001 6.9663 2.9823 6.0919
HA7-RCC GDSC1 5.3277 10.3097 1.8715 12.0857
TK-10 GDSC1 5.4415 10.5104 1.8538 11.8861
LB1047-RCC GDSC1 5.738 13.326 0.6942 17.9117
RXF 393L GDSC1 6.4254 16.183 -0.2076 20.295
RCC10RGB GDSC1 7.7968 19.7043 -0.9576 20.022
⏷ Show the Full List of 9 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
KM12 GDSC1 3.5534 4.8577 3.1593 8.447
COLO 320HSR GDSC1 3.6832 5.0586 3.188 7.6512
LS411N GDSC1 4.0174 5.1974 3.4158 4.545
RKO GDSC1 4.4595 7.6756 2.5297 9.9779
MDST8 GDSC1 4.6191 7.1298 2.9163 6.5411
HCC2998 GDSC1 4.7903 6.9101 3.1391 4.4026
C2BBe1 GDSC1 4.8913 7.4201 2.9636 5.4471
NCI-H747 GDSC1 5.3275 11.7224 1.1815 16.4114
LS513 GDSC1 5.329 12.0767 1.0086 17.3962
SNU-C1 GDSC1 5.5464 14.444 0.0041 21.76
LS123 GDSC1 5.6791 10.6151 1.9655 10.5113
CW-2 GDSC1 5.7977 9.8669 2.3951 7.3197
CL-11 GDSC1 6.1438 8.4345 3.2127 1.5681
NCI-H716 GDSC1 6.4902 8.1047 3.4784 0.3049
LS1034 GDSC1 6.6653 13.7454 1.1293 13.1669
⏷ 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 5.8192 7.7591 3.3335 1.323
Cancer Drug Sensitivity Data Curated from 63 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H510A GDSC1 3.436 5.0454 2.9559 10.5333
NCI-H847 GDSC1 3.7539 5.6226 2.9755 9.0168
NCI-H82 GDSC1 3.8839 6.2766 2.7635 10.1705
NCI-H1304 GDSC1 3.9272 5.7862 3.0456 7.7941
NCI-H748 GDSC1 3.9447 5.3516 3.2776 5.901
IST-SL1 GDSC1 4.174 6.6176 2.8333 8.5815
NCI-H1963 GDSC1 4.1888 9.4143 1.4485 18.5139
HOP-62 GDSC1 4.1978 6.6047 2.8586 8.3026
Calu-6 GDSC1 4.1983 6.7318 2.7956 8.7927
NCI-H1648 GDSC1 4.2547 5.8548 3.2754 4.8561
LB647-SCLC GDSC1 4.2568 9.2097 1.6059 17.258
NCI-H2141 GDSC1 4.2824 6.7327 2.8612 8.001
NCI-H1876 GDSC1 4.2938 6.625 2.9236 7.4777
NCI-H345 GDSC1 4.3023 5.9849 3.2469 4.9305
NCI-H526 GDSC1 4.3455 7.2458 2.6553 9.3884
LXF 289 GDSC1 4.3647 15.86 -1.6288 31.0504
NCI-H1694 GDSC1 4.3788 5.8791 3.3544 3.8724
Lu-65 GDSC1 4.4024 7.2241 2.7098 8.7852
NCI-H209 GDSC1 4.4688 7.5606 2.5937 9.4619
NCI-H1355 GDSC1 4.4743 6.5231 3.1086 5.4862
NCI-H1975 GDSC1 4.4915 10.921 0.9401 20.455
Ms-1 GDSC1 4.5043 7.4018 2.6989 8.547
HCC33 GDSC1 4.5245 6.6301 3.0923 5.4666
Lu-139 GDSC1 4.5735 7.371 2.7652 7.8288
NCI-H1092 GDSC1 4.6308 7.5376 2.7254 7.961
NCI-H1869 GDSC1 4.6579 12.572 0.2492 23.3873
NCI-H1770 GDSC1 4.7429 6.0933 3.4885 2.007
NCI-H2135 GDSC1 4.7572 6.4285 3.3438 2.9901
NCI-H1836 GDSC1 4.7643 6.8591 3.1463 4.4148
NCI-H1155 GDSC1 4.767 6.4819 3.3251 3.1017
NCI-H720 GDSC1 4.7836 6.5131 3.3209 3.0943
NCI-H69 GDSC1 4.8197 7.1635 3.0382 5.0765
NCI-H524 GDSC1 4.839 11.2487 1.049 18.6865
NCI-H2171 GDSC1 4.8775 6.5135 3.3773 2.4971
DMS 79 GDSC1 4.9102 7.8283 2.781 6.7541
COLO 668 GDSC1 5.0048 7.2063 3.1368 3.9119
NCI-H2196 GDSC1 5.0422 7.7102 2.9249 5.3553
NCI-H1581 GDSC1 5.0571 7.3493 3.1029 4.0366
CPC-N GDSC1 5.214 7.3681 3.1878 3.1183
NCI-H211 GDSC1 5.263 7.274 3.2571 2.5671
LC-2/ad GDSC1 5.3108 7.3539 3.2483 2.5394
NCI-H2081 GDSC1 5.3434 7.7573 3.0876 3.5409
SBC-1 GDSC1 5.359 7.0109 3.4196 1.4273
IST-SL2 GDSC1 5.487 10.9074 1.6934 12.8081
COR-L95 GDSC1 5.4941 7.4448 3.3058 1.8911
NCI-H64 GDSC1 5.612 7.9319 3.1593 2.593
COR-L88 GDSC1 5.732 8.8766 2.8091 4.6479
NCI-H1436 GDSC1 5.9064 7.6378 3.4195 0.8395
Lu-165 GDSC1 5.9077 7.5029 3.471 0.633
SHP-77 GDSC1 6.001 12.3215 1.3656 13.4555
DMS 114 GDSC1 6.0653 8.3756 3.1999 1.7241
NCI-H226 GDSC1 6.081 11.9067 1.6174 11.724
Lu-134-A GDSC1 6.0942 9.0063 2.9515 3.0941
NCI-H322M GDSC1 6.2933 12.6302 1.4139 12.4305
NCI-H128 GDSC1 6.5388 8.2615 3.4413 0.3772
EKVX GDSC1 6.6135 11.6251 2.0825 7.6012
NCI-H1666 GDSC1 6.6137 8.7319 3.3002 0.7752
NCI-H2227 GDSC1 6.6669 8.348 3.4581 0.2885
NCI-H23 GDSC1 6.7103 8.5763 3.3941 0.4277
NCI-H1838 GDSC1 6.7239 12.8144 1.6031 10.3002
NCI-H1650 GDSC1 6.8583 8.8931 3.3372 0.5168
NCI-H446 GDSC1 6.997 15.1733 0.6702 14.8233
NCI-H187 GDSC1 8.3193 19.9864 -0.7437 18.1348
⏷ Show the Full List of 63 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 4.2306 7.3815 2.4974 10.984
Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Oesophagus Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
TE-6 GDSC1 3.9446 5.6129 3.1469 6.9308
TE-5 GDSC1 3.9847 5.6115 3.1815 6.5107
TE-8 GDSC1 4.2287 6.5452 2.9126 7.7776
TE-9 GDSC1 4.3415 17.8318 -2.6334 33.5369
TE-10 GDSC1 4.3826 6.3167 3.143 5.4919
TE-1 GDSC1 4.4317 6.422 3.1272 5.4674
EC-GI-10 GDSC1 6.6512 8.3758 3.4427 0.3292
TE-15 GDSC1 6.7038 8.8354 3.2981 0.7248
⏷ 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 4.4336 6.4886 3.096 5.7033
Kuramochi GDSC1 4.5146 8.1594 2.332 11.283
OVCAR-4 GDSC1 4.7958 7.4316 2.8936 6.2201
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PSN1 GDSC1 3.7619 4.7879 3.3935 5.7215
MZ-PC-1 GDSC1 6.3339 8.7306 3.1815 1.5161
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Pleura Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
IST-Mes1 GDSC1 5.7284 12.3375 1.1691 15.3373
MSTO-211H GDSC1 6.4032 8.4357 3.325 0.83
MPP 89 GDSC1 7.285 26.4003 -4.5942 30.498
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
VCaP GDSC1 4.4481 6.4931 3.1043 5.5956
LNCaP clone FGC GDSC1 5.9993 9.1845 2.8233 4.051
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 4.5335 6.3541 3.2325 4.372
Cancer Drug Sensitivity Data Curated from 18 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT-144 GDSC1 4.0425 5.8478 3.1112 6.8565
A101D GDSC1 4.117 6.4921 2.8501 8.6463
LB2518-MEL GDSC1 4.2832 6.0069 3.2217 5.1854
MZ-MEL-2 GDSC1 4.4851 6.5319 3.112 5.4287
DJM-1 GDSC1 4.6094 6.1523 3.3795 3.0767
UACC-257 GDSC1 4.6968 9.0639 2.0227 12.9353
IST-MEL1 GDSC1 4.9847 8.2179 2.6446 7.5649
LOX-IMVI GDSC1 5.0425 8.0561 2.7611 6.554
LB373-MEL-D GDSC1 5.0627 7.7142 2.9363 5.2227
MMAc-SF GDSC1 5.0703 7.0433 3.2507 2.9757
SK-MEL-2 GDSC1 5.4064 6.6564 3.5821 0.5762
CP66-MEL GDSC1 5.5244 7.1081 3.4582 1.0261
A-388 GDSC1 5.5655 7.9157 3.1415 2.7814
SH-4 GDSC1 5.659 11.4995 1.5266 13.3883
MZ-MEL-7 GDSC1 5.6634 7.6945 3.2858 1.7682
SK-MEL-1 GDSC1 6.0149 12.3019 1.3845 13.3071
COLO 829 GDSC1 6.1872 7.9589 3.4148 0.6477
COLO 800 GDSC1 6.9897 8.8592 3.3977 0.3121
⏷ Show the Full List of 18 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 5.4955 7.5241 3.2729 2.0841
Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SK-UT-1 GDSC1 3.3265 5.6822 2.5479 14.1353
VA-ES-BJ GDSC1 3.8449 4.9352 3.3976 5.344
TE 441.T GDSC1 4.3554 6.4105 3.0766 6.0909
SW684 GDSC1 4.6133 6.7773 3.0833 5.2853
SW872 GDSC1 5.2472 8.1409 2.8537 5.3815
EW-8 GDSC1 5.2693 9.6435 2.1532 10.3241
SK-LMS-1 GDSC1 6.3192 8.2069 3.3761 0.6988
MFH-ino GDSC1 6.6772 17.1724 -0.5104 20.901
⏷ Show the Full List of 8 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
GCIY GDSC1 3.4537 8.5633 1.2485 22.6081
SNU-1 GDSC1 3.9637 6.9757 2.4818 12.054
SNU-16 GDSC1 4.0439 8.827 1.6229 17.9209
RF-48 GDSC1 4.0821 6.4294 2.853 8.7462
ECC12 GDSC1 4.2205 5.4199 3.4644 3.4895
SNU-5 GDSC1 4.8365 8.775 2.2687 10.7458
HSC-39 GDSC1 5.3164 7.716 3.0905 3.5749
SCH GDSC1 6.0242 12.1402 1.4682 12.7804
⏷ 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
K5 GDSC1 4.1476 6.1911 3.0249 7.1708
CGTH-W-1 GDSC1 4.3505 6.3551 3.1003 5.922
Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LB771-HNC GDSC1 3.9551 5.9789 2.9729 8.2628
BB30-HNC GDSC1 4.2505 6.1533 3.1244 6.0494
BB49-HNC GDSC1 5.4016 13.947 0.1408 21.5704
SCC-15 GDSC1 5.4962 9.9017 2.1837 9.5072
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Urogenital System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCC-IT GDSC1 3.1652 5.3302 2.5552 14.8193
LB831-BLC GDSC1 3.4148 5.6969 2.6253 13.1553
NT2-D1 GDSC1 3.6719 14.3781 -1.465 32.8386
JAR GDSC1 3.7098 5.2239 3.1321 7.9737
KGN GDSC1 3.8411 6.0988 2.8154 9.928
SW962 GDSC1 4.5618 8.162 2.3666 10.8754
SW954 GDSC1 4.9633 6.7766 3.3086 2.7951
DSH1 GDSC1 5.6543 11.9074 1.3258 14.6235
NEC8 GDSC1 5.6823 12.8747 0.8745 17.1126
OMC-1 [Human cervical carcinoma] GDSC1 6.2048 8.0392 3.3921 0.7186
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data 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: 6035).
2 ClinicalTrials.gov (NCT02160730) Treatment of Cushing's Disease With R-roscovitine. U.S. National Institutes of Health.
3 Therapeutic efficacy of seliciclib in combination with ionizing radiation for human nasopharyngeal carcinoma.Clin Cancer Res. 2009 Jun 1;15(11):3716-24.
4 Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.
5 ATP-binding cassette B1 transports seliciclib (R-roscovitine), a cyclin-dependent kinase inhibitor. Drug Metab Dispos. 2010 Nov;38(11):2000-6.
6 Metabolism of the trisubstituted purine cyclin-dependent kinase inhibitor seliciclib (R-roscovitine) in vitro and in vivo. Drug Metab Dispos. 2008 Mar;36(3):561-70.
7 Roscovitine is an effective inducer of apoptosis of Ewing's sarcoma family tumor cells in vitro and in vivo. Cancer Res. 2005 Oct 15;65(20):9320-7. doi: 10.1158/0008-5472.CAN-05-1276.
8 The specificities of protein kinase inhibitors: an update. Biochem J. 2003 Apr 1;371(Pt 1):199-204. doi: 10.1042/BJ20021535.
9 Accumulation of p53 and reductions in XIAP abundance promote the apoptosis of prostate cancer cells. Cancer Res. 2005 Sep 1;65(17):7717-23. doi: 10.1158/0008-5472.CAN-05-0347.
10 Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor. Cell Mol Life Sci. 2005 Aug;62(15):1763-71.
11 Proliferative suppression by CDK4/6 inhibition: complex function of the retinoblastoma pathway in liver tissue and hepatoma cells. Gastroenterology. 2010 May;138(5):1920-30. doi: 10.1053/j.gastro.2010.01.007. Epub 2010 Jan 25.
12 p25/Cdk5-mediated retinoblastoma phosphorylation is an early event in neuronal cell death. J Cell Sci. 2005 Mar 15;118(Pt 6):1291-8. doi: 10.1242/jcs.01724. Epub 2005 Mar 1.
13 A bioinformatical and functional approach to identify novel strategies for chemoprevention of colorectal cancer. Oncogene. 2011 Apr 28;30(17):2026-36. doi: 10.1038/onc.2010.578. Epub 2011 Jan 10.