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Ligand

NameCHEMBL344989
Molecular formulaC23H24ClN3O
IUPAC name2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyanobutyl]benzonitrile
Molecular weight393.915
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50082717
SCHEMBL9110097
2-{4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-cyano-butyl}-benzonitrile
Inchi KeyCEWNKOXWSXXSKW-UHFFFAOYSA-N
Inchi IDInChI=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 CID10572669
ChEMBLCHEMBL344989
IUPHARN/A
BindingDB50082717
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40355C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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