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Name | BDBM50437876 |
---|---|
Molecular formula | C28H31N3O3 |
IUPAC name | 1-[4-[(1S)-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]phenyl]piperidine-4-carboxylic acid |
Molecular weight | 457.574 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | N/A |
Inchi Key | NJCCHNXUSBDCQP-QBHOUYDASA-N |
Inchi ID | InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1 |
PubChem CID | 91898723 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50437876 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
224615 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
224616 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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