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Ligand

NameCHEMBL56659
Molecular formulaC24H29FN4O
IUPAC name4-[4-[(1-ethylbenzimidazol-2-yl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight408.521
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsN/A
Inchi KeyBIFIYCMYEDTYFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN4O/c1-2-29-22-7-4-3-6-21(22)27-24(29)26-20-13-16-28(17-14-20)15-5-8-23(30)18-9-11-19(25)12-10-18/h3-4,6-7,9-12,20H,2,5,8,13-17H2,1H3,(H,26,27)
PubChem CID12891553
ChEMBLCHEMBL56659
IUPHARN/A
BindingDBN/A
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
24388Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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