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Ligand

NameCHEMBL444827
Molecular formulaC21H23ClN4O
IUPAC name3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide
Molecular weight382.892
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50128887
N-[4-(4-Imidazolyl)butyl]-3-(2-pyridinyl)-3-(4-chlorophenyl)propionamide
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-3-pyridin-2-yl-propionamide
SCHEMBL14040973
Inchi KeyANIHOXRCRZIORL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClN4O/c22-17-9-7-16(8-10-17)19(20-6-2-4-11-24-20)13-21(27)25-12-3-1-5-18-14-23-15-26-18/h2,4,6-11,14-15,19H,1,3,5,12-13H2,(H,23,26)(H,25,27)
PubChem CID9800162
ChEMBLCHEMBL444827
IUPHARN/A
BindingDB50128887
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9593Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
9594Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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