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Ligand

NameCHEMBL3663520
Molecular formulaC20H20FN7O
IUPAC name[2-[(5-fluoropyridin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)pyridin-2-yl]methanone
Molecular weight393.426
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM164106
SCHEMBL16042134
US9062078, 236
Inchi KeyBUAUJEIAVYPDGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN7O/c1-12-2-5-17(28-23-8-9-24-28)19(25-12)20(29)27-14-4-6-16(27)15(10-14)26-18-7-3-13(21)11-22-18/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,22,26)
PubChem CID90413396
ChEMBLCHEMBL3663520
IUPHARN/A
BindingDB164106
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
517490Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
466948Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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