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Ligand

NameCHEMBL58549
Molecular formulaC20H21ClN4O
IUPAC nameN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide
Molecular weight368.865
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50128882
N-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-3-(1H-imidazol-4-yl)-propionamide
Inchi KeyBTMIKSCMGOOYRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClN4O/c21-16-6-4-15(5-7-16)18(19-3-1-2-11-23-19)10-12-24-20(26)9-8-17-13-22-14-25-17/h1-7,11,13-14,18H,8-10,12H2,(H,22,25)(H,24,26)
PubChem CID23562986
ChEMBLCHEMBL58549
IUPHARN/A
BindingDB50128882
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
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GLASS IDNameUniProtGeneSpeciesLength
32459Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
32460Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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