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| Name | CHEMBL105784 |
|---|---|
| Molecular formula | C26H32BrClN4O2 |
| IUPAC name | (2-amino-6-chlorophenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone |
| Molecular weight | 547.922 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 1 |
| XlogP | 5.8 |
| Synonyms | (2-amino-6-chloro-phenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone BDBM50104936 Methanone, [1'-(2-amino-6-chlorobenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl](4-bromophenyl)-, O-methyloxime, (Z)- (2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone |
| Inchi Key | KHXJCLMSOWKPMR-BGABXYSRSA-N |
| Inchi ID | InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+ |
| PubChem CID | 9574358 |
| ChEMBL | CHEMBL105784 |
| IUPHAR | N/A |
| BindingDB | 50104936 |
| 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 |
|---|---|---|---|---|---|
| 169555 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
| 169556 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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