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Ligand

NameCHEMBL357434
Molecular formulaC27H34ClN3O
IUPAC name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenyl-2-piperidin-1-ylpentanenitrile
Molecular weight452.039
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL9104675
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-phenyl-2-piperidin-1-yl-pentanenitrile
BDBM50082673
Inchi KeyCUIGXBUECCRLGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34ClN3O/c28-25-12-10-24(11-13-25)27(32)15-20-30(21-16-27)17-7-14-26(22-29,23-8-3-1-4-9-23)31-18-5-2-6-19-31/h1,3-4,8-13,32H,2,5-7,14-21H2
PubChem CID10503785
ChEMBLCHEMBL357434
IUPHARN/A
BindingDB50082673
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
50772C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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