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Ligand

NameCHEMBL563771
Molecular formulaC20H17FN6O2
IUPAC name2-(4-fluoro-2-methylphenoxy)-5-[4-(6-methoxypyridin-3-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
Molecular weight392.394
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50295777
2-(4-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
Inchi KeyBDHILEZTYXNNPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17FN6O2/c1-12-8-14(21)4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)15-5-7-18(28-3)23-9-15/h4-11H,1-3H3
PubChem CID45273367
ChEMBLCHEMBL563771
IUPHARN/A
BindingDB50295777
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
20927Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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