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Ligand

NameCHEMBL146116
Molecular formulaC27H34ClN3O3
IUPAC name4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanoic acid
Molecular weight484.037
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsSCHEMBL7689723
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyric acid
BDBM50069422
Inchi KeyBABZOVBGVDCTOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34ClN3O3/c1-20-5-2-7-24-27(20)29-25(19-34-23-11-9-22(28)10-12-23)31(24)16-3-6-21-13-17-30(18-14-21)15-4-8-26(32)33/h2,5,7,9-12,21H,3-4,6,8,13-19H2,1H3,(H,32,33)
PubChem CID21188477
ChEMBLCHEMBL146116
IUPHARN/A
BindingDB50069422
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
18716Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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