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Ligand

NameCHEMBL143825
Molecular formulaC23H27ClN2O
IUPAC name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methyl-2-phenylpentanenitrile
Molecular weight382.932
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50082699
SCHEMBL9107267
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-methyl-2-phenyl-pentanenitrile
Inchi KeyAICXYDNEZWNITF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27ClN2O/c1-22(18-25,19-6-3-2-4-7-19)12-5-15-26-16-13-23(27,14-17-26)20-8-10-21(24)11-9-20/h2-4,6-11,27H,5,12-17H2,1H3
PubChem CID10786180
ChEMBLCHEMBL143825
IUPHARN/A
BindingDB50082699
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
6109C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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