Molecule Details
InChIKeyDOLFOQBBXQXIND-QJIYOYMFSA-N
Compound Name(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-15-[1-(1,5-naphthyridin-4-ylmethyl)azetidin-3-yl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Canonical SMILESCC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5cccnc45)C3)C(=O)O[C@]12C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL8.92
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P08684 CYP3A4 Homo sapiens Human PF00067 8.9 Ki ChEMBL
P20815 CYP3A5 Homo sapiens Human PF00067 8.9 Ki ChEMBL
P24462 CYP3A7 Homo sapiens Human PF00067 8.9 Ki ChEMBL
Q9HB55 CYP3A43 Homo sapiens Human PF00067 8.9 Ki ChEMBL