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Name | CHEMBL3421902 |
---|---|
Molecular formula | C60H62Cl4N8O9 |
IUPAC name | 3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]-N-[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]ethyl]propanamide |
Molecular weight | 1181.0 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 2 |
XlogP | 8.6 |
Synonyms | N,N'-[Oxybis(ethyleneoxyethylene)]bis[3-[2,5-dichloro-4-[[3-[[4-cyclopropyl-3,4-dihydroquinoxaline-1(2H)-yl]carbonyl]-4-pyridinyl]oxy]phenyl]propanamide] BDBM50081114 J3.552.505J |
Inchi Key | MFMRXWDCIXCIMX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C60H62Cl4N8O9/c61-45-35-55(80-53-17-19-65-37-43(53)59(75)71-25-23-69(41-11-12-41)49-5-1-3-7-51(49)71)47(63)33-39(45)9-15-57(73)67-21-27-77-29-31-79-32-30-78-28-22-68-58(74)16-10-40-34-48(64)56(36-46(40)62)81-54-18-20-66-38-44(54)60(76)72-26-24-70(42-13-14-42)50-6-2-4-8-52(50)72/h1-8,17-20,33-38,41-42H,9-16,21-32H2,(H,67,73)(H,68,74) |
PubChem CID | 118735266 |
ChEMBL | CHEMBL3421902 |
IUPHAR | N/A |
BindingDB | 50081114 |
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 |
---|---|---|---|---|---|
449721 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
449722 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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