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Ligand

NameCHEMBL3663496
Molecular formulaC21H23N7O
IUPAC name[2-[(4,6-dimethylpyrimidin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight389.463
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsUS9062078, 202
BDBM164072
SCHEMBL16040741
Inchi KeyBCKTWYXNOANCFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N7O/c1-13-11-14(2)25-21(24-13)26-17-12-15-7-8-19(17)27(15)20(29)16-5-3-4-6-18(16)28-22-9-10-23-28/h3-6,9-11,15,17,19H,7-8,12H2,1-2H3,(H,24,25,26)
PubChem CID90412279
ChEMBLCHEMBL3663496
IUPHARN/A
BindingDB164072
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
517428Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
465366Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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