Molecule Details
InChIKeyNVRLHRULRRIJBY-JWIGPWBQSA-N
Compound Name(13R,17S)-17-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-6,13-dimethyl-12-oxo-7,11,19-triazatetracyclo[16.3.1.02,10.04,8]docosa-1(22),2(10),3,5,8,18,20-heptaene-5-carboxylic acid
Canonical SMILESCc1[nH]c2cc3c(cc2c1C(=O)O)-c1ccnc(c1)[C@@H](N1CCC(c2c(F)ccc(Cl)c2F)=CC1=O)CCC[C@@H](C)C(=O)N3
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.53
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00740 F9 Homo sapiens Human PF00008 PF14670 PF00594 PF00089 10.2 Ki ChEMBL;BindingDB
P03951 F11 Homo sapiens Human PF00024 PF00089 10.2 Ki ChEMBL;BindingDB
P03952 KLKB1 Homo sapiens Human PF00024 PF00089 8.2 Ki ChEMBL;BindingDB