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| Name | CHEMBL109158 |
|---|---|
| Molecular formula | C27H35BrN4O2 |
| IUPAC name | (2-amino-6-methylphenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone |
| Molecular weight | 527.507 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 1 |
| XlogP | 5.5 |
| Synonyms | (2-Amino-6-methyl-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone (2-amino-6-methyl-phenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone BDBM50104938 Methanone, [1'-(2-amino-6-methylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl](4-bromophenyl)-, O-methyloxime, (Z)- |
| Inchi Key | SIGNOFGQWWUQJS-QCWLDUFUSA-N |
| Inchi ID | InChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+ |
| PubChem CID | 9574360 |
| ChEMBL | CHEMBL109158 |
| IUPHAR | N/A |
| BindingDB | 50104938 |
| 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 |
|---|---|---|---|---|---|
| 315026 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
| 315027 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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