Molecule Details
InChIKeyYDELNSXADYPQGS-BKUYFWCQSA-N
Compound Name4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)benzamide
Canonical SMILESCn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)NCCO)cc3)ccnc21
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)15
Pfam Stratification Cross-Family
Avg pChEMBL7.62
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (15)
Target Gene Organism Category Pfam pChEMBL Type Source
P49841 GSK3B Homo sapiens Human PF00069 8.2 IC50 ChEMBL;BindingDB
P49137 MAPKAPK2 Homo sapiens Human PF00069 8.2 IC50 ChEMBL;BindingDB
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 8.0 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.0 pIC50 TTD_MultiTarget
P49840 GSK3A Homo sapiens Human PF00069 8.0 IC50 ChEMBL;BindingDB
P11362 FGFR1 Homo sapiens Human PF07679 PF00047 PF07714 7.7 pIC50 TTD_MultiTarget
P07948 LYN Homo sapiens Human PF07714 PF00017 PF00018 7.6 IC50 ChEMBL;BindingDB
P24941 CDK2 Homo sapiens Human PF00069 7.4 IC50 ChEMBL;BindingDB
P06493 CDK1 Homo sapiens Human PF00069 7.4 IC50 ChEMBL;BindingDB
Q15418 RPS6KA1 Homo sapiens Human PF00069 PF00433 7.3 IC50 ChEMBL;BindingDB
O15111 CHUK Homo sapiens Human PF18397 PF12179 PF00069 7.3 IC50 ChEMBL;BindingDB
P17252 PRKCA Homo sapiens Human PF00130 PF00168 PF00069 PF00433 7.3 IC50 ChEMBL;BindingDB
P28482 MAPK1 Homo sapiens Human PF00069 7.3 IC50 ChEMBL;BindingDB
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 7.3 IC50 ChEMBL;BindingDB
Q16539 MAPK14 Homo sapiens Human PF00069 7.3 IC50 ChEMBL;BindingDB