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Ligand

NameCHEMBL551395
Molecular formulaC21H20N6O2
IUPAC name2-(2-ethylphenoxy)-5-[4-(6-methoxypyridin-3-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
Molecular weight388.431
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50295773
2-(2-ethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
Inchi KeyBRALWNLHOJVISW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N6O2/c1-4-15-7-5-6-8-18(15)29-20-13-22-17(12-24-20)21-26-25-14(2)27(21)16-9-10-19(28-3)23-11-16/h5-13H,4H2,1-3H3
PubChem CID45269934
ChEMBLCHEMBL551395
IUPHARN/A
BindingDB50295773
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
30821Oxytocin receptorP30559OXTRHomo sapiens (Human)389
30820Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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