Molecule Details
InChIKeyKOIOMLLRGBAMQW-ADUISHHQSA-N
Compound NameN-[(3S,4R,5S,6R)-2-[[(10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Canonical SMILESCC(=O)N[C@@H]1C(Nc2ccc3c(c2)NC(=O)[C@H](C)CCC[C@H](N2CCC(c4c(F)ccc(Cl)c4F)=CC2=O)c2cc-3ccn2)O[C@H](CO)[C@@H](O)[C@@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.91
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 8.1 Ki ChEMBL;BindingDB
P03951 F11 Homo sapiens Human PF00024 PF00089 8.1 Ki ChEMBL;BindingDB
P03952 KLKB1 Homo sapiens Human PF00024 PF00089 7.6 Ki ChEMBL;BindingDB