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Ligand

NameCHEMBL3663546
Molecular formulaC22H18F4N6O
IUPAC name(3-fluoro-2-pyridazin-3-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight458.421
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM164132
SCHEMBL16081448
US9062078, 262
Inchi KeyAWMNSWGMTOKITQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18F4N6O/c23-14-4-1-3-13(20(14)15-5-2-8-29-31-15)21(33)32-12-6-7-17(32)16(9-12)30-19-11-27-18(10-28-19)22(24,25)26/h1-5,8,10-12,16-17H,6-7,9H2,(H,28,30)
PubChem CID90445449
ChEMBLCHEMBL3663546
IUPHARN/A
BindingDB164132
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
464873Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517405Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464872Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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