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Name | CHEMBL344989 |
---|---|
Molecular formula | C23H24ClN3O |
IUPAC name | 2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile |
Molecular weight | 393.915 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | 2-{4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-cyano-butyl}-benzonitrile BDBM50082717 SCHEMBL9110097 |
Inchi Key | CEWNKOXWSXXSKW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H24ClN3O/c24-21-9-7-20(8-10-21)23(28)11-14-27(15-12-23)13-3-5-19(17-26)22-6-2-1-4-18(22)16-25/h1-2,4,6-10,19,28H,3,5,11-15H2 |
PubChem CID | 10572669 |
ChEMBL | CHEMBL344989 |
IUPHAR | N/A |
BindingDB | 50082717 |
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 |
---|---|---|---|---|---|
40355 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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