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| Name | CHEMBL105779 |
|---|---|
| Molecular formula | C31H40BrN3O4 |
| IUPAC name | ethyl 2-[(Z)-[(4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methylidene]amino]oxyacetate |
| Molecular weight | 598.582 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 0 |
| XlogP | 6.3 |
| Synonyms | Acetic acid, [[[(1Z)-(4-bromophenyl)[1'-(2,6-dimethylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]methylene]amino]oxy]-, ethyl ester BDBM50115540 ethyl 2-[(Z)-[(4-bromophenyl)-[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methylene]amino]oxyacetate {(4-Bromo-phenyl)-[1''-(2,6-dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-yl]-methyleneaminooxy}-acetic acid ethyl ester |
| Inchi Key | LUPDFQMYNBOGLB-XPXRSFDGSA-N |
| Inchi ID | InChI=1S/C31H40BrN3O4/c1-5-38-27(36)21-39-33-29(24-9-11-26(32)12-10-24)25-13-17-35(18-14-25)31(4)15-19-34(20-16-31)30(37)28-22(2)7-6-8-23(28)3/h6-12,25H,5,13-21H2,1-4H3/b33-29+ |
| PubChem CID | 9579315 |
| ChEMBL | CHEMBL105779 |
| IUPHAR | N/A |
| BindingDB | 50115540 |
| 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 |
|---|---|---|---|---|---|
| 196815 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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