Type: | Approved drug |
PubChem: | 56948249 |
DrugBank: | DB14850 |
IUPAC: | (E)-3-[2-[1-[[[2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-6-indolyl]-oxomethyl]amino]cyclobutyl]-3-methyl-5-benzimidazolyl]-2-propenoic acid |
Standard InChI: | InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+ |
Standard InChIKey: | BMAIGAHXAJEULY-UKTHLTGXSA-N |
SMILES: | CN1C(C2(NC(=O)C3=CC=C4C(C5CCCC5)=C(C5=NC=C(Br)C=N5)N(C)C4=C3)CCC2)=NC2=CC=C(C=CC(=O)O)C=C21 |
Metabolism-related information: | No data |
Reference: | No data |
Chemical Structure | Metablite's name | Reaction name | Genus | Species | Reference |
---|---|---|---|---|---|
CD 6168 | Reduction | Gut microbiota | Gut microbiota | 10.1016/bs.pmbts.2020.04.002 |