Details of the Drug

General Information of Drug (ID: DM87ZIH)

Drug Name
Tyrphostin ag-1478
Synonyms
AG-1478; 153436-53-4; Tyrphostin AG 1478; N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine; 175178-82-2; Tyrphostin AG-1478; 4-(3-Chloroanilino)-6,7-dimethoxyquinazoline; AG 1478; AG1478; TYRPHOSTIN; 4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-; UNII-SUH0SEZ9HY; SUH0SEZ9HY; AG-1478 hydrochloride; AG-1478 (Tyrphostin AG-1478); CHEMBL7917; CHEBI:75404; N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine; NSC-693255; AK-63142; N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; BRD6408; BRD-6408; SR-01000076156; NSC693255
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 315.75
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H14ClN3O2
IUPAC Name
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
Canonical SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2051
ChEBI ID
CHEBI:75404
CAS Number
153436-53-4
TTD ID
D0ZH1U
VARIDT ID
DR01471

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Epidermal growth factor receptor (EGFR) TTGKNB4 EGFR_HUMAN Inhibitor [2]
Stress-activated protein kinase 2a (p38 alpha) TTQBR95 MK14_HUMAN Inhibitor [3]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [4]
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Gene/Protein Processing [5]
Cadherin-1 (CDH1) OTFJMXPM CADH1_HUMAN Gene/Protein Processing [6]
Catenin beta-1 (CTNNB1) OTZ932A3 CTNB1_HUMAN Gene/Protein Processing [5]
Epidermal growth factor receptor (EGFR) OTAPLO1S EGFR_HUMAN Gene/Protein Processing [7]
G1/S-specific cyclin-D1 (CCND1) OT8HPTKJ CCND1_HUMAN Gene/Protein Processing [5]
G1/S-specific cyclin-E1 (CCNE1) OTLD7UID CCNE1_HUMAN Gene/Protein Processing [8]
Interleukin-6 (IL6) OTUOSCCU IL6_HUMAN Gene/Protein Processing [9]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [9]
Involucrin (IVL) OT4VPNGY INVO_HUMAN Gene/Protein Processing [10]
Keratin, type II cytoskeletal 1 (KRT1) OTIOJWA4 K2C1_HUMAN Gene/Protein Processing [10]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Epidermal growth factor receptor (EGFR) DTT EGFR 5.84E-05 0.32 0.55
P-glycoprotein 1 (ABCB1) DTP P-GP 1.42E-02 -2.10E-01 -5.11E-01
Breast cancer resistance protein (ABCG2) DTP BCRP 1.07E-06 -3.94E-01 -6.94E-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 1 Cell Line(s) in Breast Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MCF-7 CTRP1 4.5163 6.4603 4.4616 43.7962
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LN-229 CTRP1 5.404 7.6139 5.193 32.3318
GaMG CTRP1 5.8059 7.2439 4.9164 4.9133
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-151 CTRP1 2.0398 4.8713 2.0049 74.0868
JHUEM-2 CTRP1 4.9401 6.3343 4.9201 37.6241
KLE CTRP1 5.1529 6.3158 4.8079 8.737
HEC-59 CTRP1 5.4503 6.2876 5.1038 4.6483
HEC-108 CTRP1 11.1376 24.3157 0.3265 18.5815
Ishikawa (Heraklio) 02 ER- CTRP1 6.0337 19.2981 -0.9154 34.5186
⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 19 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NOMO-1 CTRP1 3.195 4.4063 3.1946 62.3553
MOLM-16 CTRP1 3.2028 4.848 3.1984 62.0291
PL21 CTRP1 3.3178 4.9739 3.3124 60.4285
KMS-11 CTRP1 3.5945 6.5943 3.453 55.7373
OCI-AML-3 CTRP1 3.6465 5.959 3.5968 55.5452
LP-1 CTRP1 3.6719 8.2325 3.1168 53.8484
WSU-DLCL2 CTRP1 4.1272 6.9654 3.9582 49.2145
GDM-1 CTRP1 4.4449 6.7734 4.3387 44.9571
BL-70 CTRP1 4.4498 5.9959 4.2078 17.7964
SKM-1 CTRP1 4.4576 6.2802 4.4193 44.5514
SU-DHL-4 CTRP1 4.8219 8.0392 4.4295 41.0557
NU-DUL-1 CTRP1 4.9549 6.1675 4.9452 37.3453
THP-1 CTRP1 4.9566 6.5943 4.9128 37.5418
RPMI-8226 CTRP1 5.1895 7.2641 5.048 34.875
EJM CTRP1 5.3327 7.0455 5.2484 32.4743
AMO1 CTRP1 5.5205 6.4827 5.5124 29.2563
SU-DHL-5 CTRP1 5.5561 6.4287 5.551 28.7262
U-937 CTRP1 5.797 6.843 5.7742 25.4128
OCI-Ly10 CTRP1 6.0292 12.9359 3.5121 36.1455
⏷ Show the Full List of 19 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RCC10RGB CTRP1 4.0736 7.6565 3.7292 49.8955
Cancer Drug Sensitivity Data Curated from 27 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SNU-C4 CTRP1 -0.1632 5.5695 -0.42 80.8802
NCI-H508 CTRP1 0.0354 3.9651 -0.017 86.1669
CW-2 CTRP1 1.4664 7.4792 0.9326 69.9294
SNU-175 CTRP1 1.5035 5.5636 1.3694 75.1262
LS180 CTRP1 1.5117 5.0899 1.4344 76.6955
SW948 CTRP1 1.8627 4.1305 1.8545 77.8222
HT115 CTRP1 2.1724 6.1314 2.0001 69.4502
HT-55 CTRP1 2.2933 6.0136 2.1491 68.9118
LoVo CTRP1 2.4727 6.3404 2.2876 66.769
SNU-81 CTRP1 2.5483 4.5881 2.54 70.2382
CL-40 CTRP1 2.7408 6.8314 2.4807 63.6353
RCM-1 [Human ESC] CTRP1 3.2708 8.0306 2.7435 57.5306
COLO 678 CTRP1 3.5951 8.3443 2.997 54.4774
SNU-C5 CTRP1 3.8215 5.9208 3.7842 53.2945
CL-34 CTRP1 4.115 5.5914 4.1071 49.2843
KM12 CTRP1 4.268 5.632 4.2619 47.1122
COLO 320 CTRP1 4.2759 11.0229 2.6731 48.4429
HCT 8 CTRP1 4.3734 6.4764 4.3075 45.8106
SNU-61 CTRP1 4.6343 9.1599 3.8238 44.393
MDST8 CTRP1 4.7239 6.1249 4.7093 40.6694
SNU-1040 CTRP1 5.0187 6.5245 4.9861 36.5871
SW620 CTRP1 5.3259 7.5757 5.1184 33.3963
LS123 CTRP1 5.3784 6.9559 5.3131 31.6931
HT-29 CTRP1 5.7287 7.4037 5.6025 27.1502
RKO CTRP1 5.7476 7.0564 5.6937 26.3465
HCT 116 CTRP1 5.782 6.9183 5.7501 25.6933
SW480 CTRP1 6.1563 8.8912 5.5366 24.8894
⏷ Show the Full List of 27 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Liver Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hep-G2 CTRP1 3.7092 5.3894 3.6994 54.9661
SNU-398 CTRP1 4.9809 6.8763 4.8986 37.4353
SNU-449 CTRP1 5.5815 12.2806 2.2205 25.9127
JHH-6 CTRP1 6.1734 7.4328 5.0757 2.4303
Cancer Drug Sensitivity Data Curated from 44 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H3255 CTRP1 -1.6741 6.3499 -2.214 81.4144
HCC827 CTRP1 -1.6697 4.8012 -1.9153 85.6297
HCC4006 CTRP1 0.3731 3.7394 0.3453 86.3521
HCC2935 CTRP1 0.9672 5.7251 0.7706 76.9827
NCI-H1105 CTRP1 2.1309 3.7888 2.1297 76.3556
NCI-H1963 CTRP1 2.5308 4.6611 2.5201 70.2726
NCI-H2122 CTRP1 3.3602 5.6856 3.3211 59.3009
HCC1833 CTRP1 3.4546 5.5281 3.4306 58.2672
NCI-H1435 CTRP1 3.5001 10.6956 1.1257 40.0967
CAL-12T CTRP1 3.6236 10.5913 2.1786 53.1567
SK-LU-1 CTRP1 3.7136 7.0593 3.4883 54.0904
NCI-H2342 CTRP1 3.9605 6.3601 3.8827 51.3684
COLO 699 CTRP1 3.9615 5.7455 3.9425 51.4303
NCI-H441 CTRP1 4.0238 7.2832 3.7734 50.4795
SCLC-21H CTRP1 4.1469 6.9927 3.9739 48.9692
NCI-H1781 CTRP1 4.1835 7.33 3.9359 48.5706
NCI-H841 CTRP1 4.2401 6.099 4.2075 47.5683
NCI-H1836 CTRP1 4.348 6.0024 4.3272 46.0272
LXF 289 CTRP1 4.4575 8.2789 3.202 25.5402
HCC1359 CTRP1 4.5233 6.1639 4.4983 43.5707
HCC2108 CTRP1 4.5733 6.256 4.5431 42.889
NCI-H2073 CTRP1 4.6645 6.668 4.5917 41.8129
Sq-1 CTRP1 4.7456 7.0327 4.6153 40.9626
NCI-H1876 CTRP1 4.8238 6.8389 4.7357 39.6695
COLO 668 CTRP1 4.9549 6.2592 4.6342 11.3025
NCI-H1930 CTRP1 4.9802 6.1971 4.6875 10.7091
HCC1195 CTRP1 4.9842 6.6346 4.9373 37.1701
NCI-H2141 CTRP1 5.001 7.1564 4.8668 37.4591
NCI-H2023 CTRP1 5.1681 7.1692 5.0456 35.0538
NCI-H1755 CTRP1 5.2904 7.9835 4.9568 34.6633
T3M-10 CTRP1 5.2982 11.0432 3.7029 39.8216
NCI-H2081 CTRP1 5.3623 7.1711 5.256 32.2071
RERF-LC-KJ CTRP1 5.5152 7.3933 4.6086 8.8163
NCI-H2286 CTRP1 5.5283 6.9997 4.8165 6.8913
HCC15 CTRP1 5.6586 8.2175 5.2757 29.9759
COR-L51 CTRP1 5.7048 6.6711 5.6922 26.6559
NCI-H596 CTRP1 5.8326 7.3766 5.7222 25.5529
NCI-H2030 CTRP1 5.8457 11.9707 3.8047 36.1634
NCI-H2172 CTRP1 5.8905 8.5532 5.3971 27.5807
NCI-H1915 CTRP1 6.0185 7.5694 4.9105 4.2584
NCI-H1694 CTRP1 6.0327 7.5427 5.8987 22.8815
COR-L23 CTRP1 6.3932 7.3962 6.3279 17.2138
NCI-H460 CTRP1 6.848 7.6253 6.7651 10.8601
NCI-H2110 CTRP1 8.6876 33.3495 -4.4045 39.9239
⏷ Show the Full List of 44 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 23 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RMG-I CTRP1 1.1942 6.7249 0.8224 73.0496
JHOC-5 CTRP1 2.7455 4.6615 2.7386 67.9082
IGROV-1 CTRP1 2.7939 6.6222 2.5818 63.6019
OVCAR-8 CTRP1 2.8776 4.9017 2.8663 66.0077
RMUG-S CTRP1 3.1814 7.9189 2.6798 58.3923
COV644 CTRP1 3.2596 7.7662 2.8098 57.9116
SNU-840 CTRP1 3.2642 14.0723 0.2798 53.896
OVKATE CTRP1 3.5334 6.3823 3.4225 56.6073
JHOM-1 CTRP1 3.6521 4.653 3.6519 55.8835
A2780 CTRP1 3.7543 5.1862 3.7505 54.3869
COV434 CTRP1 4.1645 6.0194 4.1349 48.6146
OVCAR-4 CTRP1 4.1939 7.3544 3.9412 48.4484
Caov-3 CTRP1 4.3571 6.1045 4.3294 45.9219
OV-90 CTRP1 4.4488 6.2786 4.4102 44.6749
OVK18 CTRP1 4.5466 6.7724 4.4485 43.5471
EFO-27 CTRP1 5.2599 13.3391 2.5871 42.4873
JHOS-4 CTRP1 5.3629 10.2925 3.0304 22.1751
OV7 CTRP1 5.6305 8.7367 5.0486 31.6541
TYK-nu CTRP1 5.7104 7.0793 5.6499 26.926
OVMANA CTRP1 5.8456 9.3751 3.888 13.7401
COV318 CTRP1 6.5001 7.6529 5.1584 1.1641
OAW42 CTRP1 6.7919 7.4989 6.7384 11.4334
COV362 CTRP1 6.9137 8.7205 6.383 13.6817
⏷ Show the Full List of 23 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaTu 8902 CTRP1 5.3499 6.1127 5.0959 5.2031
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 5.2612 7.2996 4.4327 11.5187
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SK-MEL-5 CTRP1 3.438 4.63 3.4375 58.9125
Hs 852.T CTRP1 4.9694 6.1794 4.6841 10.7981
A-375 CTRP1 5.3787 6.561 5.3605 31.3544
SK-MEL-1 CTRP1 6.1502 6.9555 6.1351 20.3115
SK-MEL-28 CTRP1 6.6641 7.3032 6.6389 13.0445
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RKN CTRP1 3.6306 5.3506 3.6204 56.0495
HT-1080 CTRP1 5.3921 6.1993 5.3902 31.0459
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
AGS CTRP1 1.6433 4.6522 1.6075 77.5103
MKN74 CTRP1 6.2177 9.707 4.0091 11.3525
SNG-M CTRP1 6.2884 14.0598 1.9039 24.7237
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SCC-9 CTRP1 1.1371 5.8295 0.9362 75.9572

References

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9 Brominated flame retardants, hexabromocyclododecane and tetrabromobisphenol A, affect proinflammatory protein expression in human bronchial epithelial cells via disruption of intracellular signaling. Toxicol In Vitro. 2016 Apr;32:212-9. doi: 10.1016/j.tiv.2015.12.013. Epub 2015 Dec 21.
10 Arsenite suppresses Notch1 signaling in human keratinocytes. J Invest Dermatol. 2009 Jan;129(1):155-61. doi: 10.1038/jid.2008.207. Epub 2008 Jul 17.