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Ligand

NameCHEMBL344751
Molecular formulaC26H28N2OS
IUPAC name5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight416.583
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50082693
SCHEMBL9111106
5-(4-Hydroxy-4-thiophen-2-yl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi KeyAMWWMOSIDFEYQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2
PubChem CID10788075
ChEMBLCHEMBL344751
IUPHARN/A
BindingDB50082693
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
9327C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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