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Ligand

NameCHEMBL3663490
Molecular formulaC21H19F3N6O
IUPAC name[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight428.419
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM164066
SCHEMBL16081453
US9062078, 196
Inchi KeyAORXOPBYJPVESQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19F3N6O/c22-21(23,24)13-5-8-19(25-12-13)28-16-11-14-6-7-18(16)29(14)20(31)15-3-1-2-4-17(15)30-26-9-10-27-30/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,25,28)
PubChem CID90445454
ChEMBLCHEMBL3663490
IUPHARN/A
BindingDB164066
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464172Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517373Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464173Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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