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Ligand

NamePEXACERFONT
Molecular formulaC18H24N6O
IUPAC nameN-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Molecular weight340.431
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
Synonyms8-(6-Methoxy-2-methylpyridin-3-yl)-2,7-dimethyl-N-((1R)-1-methylpropyl)pyrazolo(1,5-a)-1,3,5-triazin-4-amine
CS-6630
Pexacerfont (USAN/INN)
BMS-562086
DB12572
[ Show all ]
Inchi KeyLBWQSAZEYIZZCE-SNVBAGLBSA-N
Inchi IDInChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
PubChem CID9884366
ChEMBLCHEMBL482950
IUPHARN/A
BindingDB29490
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
183662Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
183666Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
183664Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415
183665Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444
183663Corticotropin-releasing factor receptor 2Q13324CRHR2Homo sapiens (Human)411
183661Substance-K receptorP21452TACR2Homo sapiens (Human)398

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