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Ligand

NameCHEMBL115418
Molecular formulaC18H22ClN5O
IUPAC name2-[3-[2-(3-chloroanilino)ethyl-methylamino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight359.858
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
Synonyms2-[3-[Methyl[2-(3-chloroanilino)ethyl]amino]propyl]-1,2,4-triazolo[4,3-a]pyridine-3(2H)-one
Inchi KeyQHNMMROQMFUTFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22ClN5O/c1-22(13-9-20-16-7-4-6-15(19)14-16)10-5-12-24-18(25)23-11-3-2-8-17(23)21-24/h2-4,6-8,11,14,20H,5,9-10,12-13H2,1H3
PubChem CID10713512
ChEMBLCHEMBL115418
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4527055-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
278466D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
452706Histamine H1 receptorP30546HRH1Bos taurus (Bovine)491

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