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Ligand

NameCHEMBL356764
Molecular formulaC22H24Cl2N2O
IUPAC name2-(2-chlorophenyl)-5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentanenitrile
Molecular weight403.347
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50082707
SCHEMBL9107609
2-(2-Chloro-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
Inchi KeyAAGZGAWWUCIKSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24Cl2N2O/c23-19-9-7-18(8-10-19)22(27)11-14-26(15-12-22)13-3-4-17(16-25)20-5-1-2-6-21(20)24/h1-2,5-10,17,27H,3-4,11-15H2
PubChem CID10501338
ChEMBLCHEMBL356764
IUPHARN/A
BindingDB50082707
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
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GLASS IDNameUniProtGeneSpeciesLength
196C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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