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Name | SCHEMBL10240962 |
---|---|
Molecular formula | C29H26N2O3 |
IUPAC name | 3-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)propyl]phenyl]benzoic acid |
Molecular weight | 450.538 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | N/A |
Inchi Key | GZXVWGBFYAAUGQ-CCFHIKDMSA-N |
Inchi ID | InChI=1S/C29H26N2O3/c1-19-6-3-4-9-26(19)27(18-28(31-34)24-14-15-30-20(2)16-24)22-12-10-21(11-13-22)23-7-5-8-25(17-23)29(32)33/h3-17,27,34H,18H2,1-2H3,(H,32,33)/b31-28+ |
PubChem CID | 136166841 |
ChEMBL | CHEMBL2407955 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
560688 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
560689 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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