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| Name | CHEMBL108845 |
|---|---|
| Molecular formula | C29H38N2O2 |
| IUPAC name | 1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone |
| Molecular weight | 446.635 |
| Hydrogen bond acceptor | 3 |
| Hydrogen bond donor | 0 |
| XlogP | 5.3 |
| Synonyms | 1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methyl]phenyl]ethanone 1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone AC1LACIY 1,4'-Bipiperidine, 4-[(4-acetylphenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl- 1-{4-[1''-(2,6-Dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone [ Show all ] |
| Inchi Key | PGHGXGPMAYCWGK-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3 |
| PubChem CID | 511308 |
| ChEMBL | CHEMBL108845 |
| IUPHAR | N/A |
| BindingDB | 50115514 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 259061 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
| 259062 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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