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Name | CHEMBL255431 |
---|---|
Molecular formula | C29H35N5O |
IUPAC name | (3-methylpyridin-2-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 469.633 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.6 |
Synonyms | (4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(3-methylpyridin-2-yl)methanone BDBM50234724 |
Inchi Key | KFPNMAHHOBQVHI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H35N5O/c1-23-8-6-17-31-27(23)28(35)32-20-14-29(2,15-21-32)33-18-12-25(13-19-33)34(24-9-4-3-5-10-24)26-11-7-16-30-22-26/h3-11,16-17,22,25H,12-15,18-21H2,1-2H3 |
PubChem CID | 44447733 |
ChEMBL | CHEMBL255431 |
IUPHAR | N/A |
BindingDB | 50234724 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
167971 | C-C chemokine receptor type 5 | P61814 | CCR5 | Macaca fascicularis (Crab-eating macaque) | 352 |
167972 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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