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Name | CHEMBL3234868 |
---|---|
Molecular formula | C30H29F3N6O4 |
IUPAC name | 4-[1-[6-[(2S)-2-[2-(4-cyanophenyl)ethylcarbamoyl]azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxybenzoic acid |
Molecular weight | 594.595 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | BDBM50003569 |
Inchi Key | IDTWSSBZIUJNES-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C30H29F3N6O4/c31-30(32,33)29-36-25(38-14-10-23(11-15-38)43-22-7-5-21(6-8-22)28(41)42)17-26(37-29)39-16-12-24(39)27(40)35-13-9-19-1-3-20(18-34)4-2-19/h1-8,17,23-24H,9-16H2,(H,35,40)(H,41,42)/t24-/m0/s1 |
PubChem CID | 90654597 |
ChEMBL | CHEMBL3234868 |
IUPHAR | N/A |
BindingDB | 50003569 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
130815 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
130816 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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