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Ligand

NameCHEMBL118691
Molecular formulaC21H26ClN5O
IUPAC name2-[3-[4-(3-chlorophenyl)-2-ethylpiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight399.923
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
Synonyms2-{3-[4-(3-Chloro-phenyl)-2-ethyl-piperazin-1-yl]-propyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
BDBM50073441
Inchi KeyNXKQJTIEWHWYMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26ClN5O/c1-2-18-16-25(19-8-5-7-17(22)15-19)14-13-24(18)10-6-12-27-21(28)26-11-4-3-9-20(26)23-27/h3-5,7-9,11,15,18H,2,6,10,12-14,16H2,1H3
PubChem CID10524995
ChEMBLCHEMBL118691
IUPHARN/A
BindingDB50073441
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2344565-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
234457D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
234455Histamine H1 receptorP30546HRH1Bos taurus (Bovine)491

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