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Ligand

NameCHEMBL346205
Molecular formulaC20H23ClN2OS
IUPAC name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile
Molecular weight374.927
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50082713
SCHEMBL9108439
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-thiophen-2-yl-pentanenitrile
Inchi KeyCMFKIUAFSUSUDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClN2OS/c21-18-7-5-17(6-8-18)20(24)9-12-23(13-10-20)11-1-3-16(15-22)19-4-2-14-25-19/h2,4-8,14,16,24H,1,3,9-13H2
PubChem CID10547456
ChEMBLCHEMBL346205
IUPHARN/A
BindingDB50082713
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
45281C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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