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Name | CHEMBL3421904 |
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Molecular formula | C70H82Cl4N8O14 |
IUPAC name | 3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide |
Molecular weight | 1401.27 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 2 |
XlogP | 7.8 |
Synonyms | BDBM50081103 J3.552.504A N,N'-[Ethylenebis(oxyethyleneoxyethyleneoxyethyleneoxyethylene)]bis[3-[2,5-dichloro-4-[[3-[[4-cyclopropyl-3,4-dihydroquinoxaline-1(2H)-yl]carbonyl]-4-pyridinyl]oxy]phenyl]propanamide] |
Inchi Key | LKFQNWRJVVYLHV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C70H82Cl4N8O14/c71-55-45-65(95-63-17-19-75-47-53(63)69(85)81-25-23-79(51-11-12-51)59-5-1-3-7-61(59)81)57(73)43-49(55)9-15-67(83)77-21-27-87-29-31-89-33-35-91-37-39-93-41-42-94-40-38-92-36-34-90-32-30-88-28-22-78-68(84)16-10-50-44-58(74)66(46-56(50)72)96-64-18-20-76-48-54(64)70(86)82-26-24-80(52-13-14-52)60-6-2-4-8-62(60)82/h1-8,17-20,43-48,51-52H,9-16,21-42H2,(H,77,83)(H,78,84) |
PubChem CID | 118735268 |
ChEMBL | CHEMBL3421904 |
IUPHAR | N/A |
BindingDB | 50081103 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
449120 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
449121 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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