Molecule Details
InChIKeyKPJDEGAKXAUVAC-NFBKMPQASA-N
Compound Name2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]benzoic acid
Canonical SMILESO=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2C(=O)O)c(O)c1)c1ccc(O)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)15
Pfam Stratification Cross-Family
Avg pChEMBL6.63
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (15)
Target Gene Organism Category Pfam pChEMBL Type Source
P17612 PRKACA Homo sapiens Human PF00069 8.4 Ki ChEMBL
P22612 PRKACG Homo sapiens Human PF00069 8.4 Ki ChEMBL
P22694 PRKACB Homo sapiens Human PF00069 8.4 Ki ChEMBL
O94806 PRKD3 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.2 Ki ChEMBL
P05129 PRKCG Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.2 Ki ChEMBL
P05771 PRKCB Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.2 Ki ChEMBL
P17252 PRKCA Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.2 Ki ChEMBL
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.2 pIC50 TTD_MultiTarget
P24723 PRKCH Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.2 Ki ChEMBL
P41743 PRKCI Homo sapiens Human PF00130 PF00564 PF00069 PF00433 6.2 Ki ChEMBL
Q02156 PRKCE Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.2 Ki ChEMBL
Q04759 PRKCQ Homo sapiens Human PF00130 PF21494 PF00069 PF00433 6.2 Ki ChEMBL
Q05513 PRKCZ Homo sapiens Human PF00130 PF00564 PF00069 PF00433 6.2 Ki ChEMBL
Q05655 PRKCD Homo sapiens Human PF00130 PF21494 PF00069 PF00433 6.2 Ki ChEMBL
Q15139 PRKD1 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.2 Ki ChEMBL