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| Name | CHEMBL105821 |
|---|---|
| Molecular formula | C28H37BrN4O2 |
| IUPAC name | [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethylpyridin-3-yl)methanone |
| Molecular weight | 541.534 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 0 |
| XlogP | 5.3 |
| Synonyms | BDBM50104933 Methanone, (4-bromophenyl)[1'-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (Z)- [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-3-pyridyl)methanone {4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-pyridin-3-yl)-methanone |
| Inchi Key | UCANOSVRVFBCJE-GKPLWNPISA-N |
| Inchi ID | InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+ |
| PubChem CID | 9575320 |
| ChEMBL | CHEMBL105821 |
| IUPHAR | N/A |
| BindingDB | 50104933 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | 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 |
|---|---|---|---|---|---|
| 333141 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
| 333142 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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