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| Name | CHEMBL106573 |
|---|---|
| Molecular formula | C33H38BrN3O2 |
| IUPAC name | [4-[4-[(Z)-C-(4-bromophenyl)-N-phenoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone |
| Molecular weight | 588.59 |
| Hydrogen bond acceptor | 4 |
| Hydrogen bond donor | 0 |
| XlogP | 7.6 |
| Synonyms | BDBM50115525 [4-[4-[(Z)-C-(4-bromophenyl)-N-phenoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone 1,4'-Bipiperidine, 4-[(Z)-(4-bromophenyl)(phenoxyimino)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl- {4-[(4-Bromo-phenyl)-phenoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone |
| Inchi Key | YPMFIWOXCFWBQO-JSLDZMDGSA-N |
| Inchi ID | InChI=1S/C33H38BrN3O2/c1-24-8-7-9-25(2)30(24)32(38)36-22-18-33(3,19-23-36)37-20-16-27(17-21-37)31(26-12-14-28(34)15-13-26)35-39-29-10-5-4-6-11-29/h4-15,27H,16-23H2,1-3H3/b35-31+ |
| PubChem CID | 9579317 |
| ChEMBL | CHEMBL106573 |
| IUPHAR | N/A |
| BindingDB | 50115525 |
| 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 |
|---|---|---|---|---|---|
| 416055 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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