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Ligand

NameCHEMBL568451
Molecular formulaC19H18N4O
IUPAC name2,2-dimethyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-3H-inden-1-one
Molecular weight318.38
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50301815
2,2-dimethyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-inden-1-one
Inchi KeyBZIBIEYKXKMKQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N4O/c1-12-17(21-22-23(12)15-5-4-8-20-11-15)13-6-7-16-14(9-13)10-19(2,3)18(16)24/h4-9,11H,10H2,1-3H3
PubChem CID45484929
ChEMBLCHEMBL568451
IUPHARN/A
BindingDB50301815
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
36477Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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