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| Name | CHEMBL284120 |
|---|---|
| Molecular formula | C32H31Cl2N5O5 |
| IUPAC name | N-[1-[2-[[(2S)-1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxohexanamide |
| Molecular weight | 636.53 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 3 |
| XlogP | 3.5 |
| Synonyms | 5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-dichloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide GW405212X 5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-dichloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[b]azepin-3-yl)-amide BDBM50100380 GW-405212X |
| Inchi Key | BADTYUHLCFJVTK-ZGAORZAOSA-N |
| Inchi ID | InChI=1S/C32H31Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h2-6,9-12,14-16,25,31H,7-8,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1 |
| PubChem CID | 44459838 |
| ChEMBL | CHEMBL284120 |
| IUPHAR | N/A |
| BindingDB | 50100380 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 18759 | Oxytocin receptor | P30559 | OXTR | Homo sapiens (Human) | 389 |
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