Molecule Details
InChIKeyZMNWFTYYYCSSTF-UHFFFAOYSA-N
Compound Name1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-
Canonical SMILESCOc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)18
Pfam Stratification Cross-Family
Avg pChEMBL6.97
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (18)
Target Gene Organism Category Pfam pChEMBL Type Source
P06241 FYN Homo sapiens Human PF07714 PF00017 PF00018 9.0 Ki ChEMBL
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 8.5 Ki ChEMBL
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 7.6 Ki ChEMBL
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 7.5 Ki ChEMBL
P04626 ERBB2 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 7.3 Ki ChEMBL
Q15303 ERBB4 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 7.3 Ki ChEMBL
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 6.8 IC50 ChEMBL;BindingDB
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 6.8 Ki ChEMBL
Q5VT25 CDC42BPA Homo sapiens Human PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 6.8 Ki ChEMBL
Q96GD4 AURKB Homo sapiens Human PF00069 6.8 Ki ChEMBL
O14965 AURKA Homo sapiens Human PF00069 6.7 Ki ChEMBL
P51955 NEK2 Homo sapiens Human PF00069 6.7 Ki ChEMBL
O00444 PLK4 Homo sapiens Human PF00069 PF18190 PF18409 6.4 Ki ChEMBL
P17948 FLT1 Homo sapiens Human PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 6.4 Ki ChEMBL
Q13464 ROCK1 Homo sapiens Human PF25346 PF00069 PF08912 6.4 Ki ChEMBL
O96013 PAK4 Homo sapiens Human PF00786 PF00069 6.3 Ki ChEMBL
O96017 CHEK2 Homo sapiens Human PF00498 PF00069 6.1 Ki ChEMBL
P07333 CSF1R Homo sapiens Human PF00047 PF25305 PF07714 6.1 Ki ChEMBL