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| Name | CHEMBL110730 |
|---|---|
| Molecular formula | C28H37BrN4O3 |
| IUPAC name | 3-[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one |
| Molecular weight | 557.533 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 1 |
| XlogP | 4.4 |
| Synonyms | BDBM50115532 Pyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2-hydroxy-4,6-dimethyl- 4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-1''-[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]-4''-methyl-1,4''-bipiperidine [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-hydroxy-4,6-dimethyl-3-pyridyl)methanone {4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanone |
| Inchi Key | NSNVDTQEDMRJDI-QCKNELIISA-N |
| Inchi ID | InChI=1S/C28H37BrN4O3/c1-5-36-31-25(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)24-19(2)18-20(3)30-26(24)34/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-25+ |
| PubChem CID | 9579321 |
| ChEMBL | CHEMBL110730 |
| IUPHAR | N/A |
| BindingDB | 50115532 |
| 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 |
|---|---|---|---|---|---|
| 230960 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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