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Ligand

NameCHEMBL3663548
Molecular formulaC22H18F4N6O
IUPAC name(3-fluoro-2-pyridazin-4-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
XlogP2.6
SynonymsBDBM164134
SCHEMBL16081423
US9062078, 264
Inchi KeyAUBYKQWSRFEVBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18F4N6O/c23-15-3-1-2-14(20(15)12-6-7-29-30-9-12)21(33)32-13-4-5-17(32)16(8-13)31-19-11-27-18(10-28-19)22(24,25)26/h1-3,6-7,9-11,13,16-17H,4-5,8H2,(H,28,31)
PubChem CID90445426
ChEMBLCHEMBL3663548
IUPHARN/A
BindingDB164134
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
517391Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464649Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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