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Ligand

NameCHEMBL3663538
Molecular formulaC21H18F4N6O2
IUPAC name[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight462.409
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.4
SynonymsUS9062078, 254
BDBM164124
SCHEMBL16081428
Inchi KeyBCQLDDDEMNRLJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F4N6O2/c1-10-28-19(33-30-10)18-12(3-2-4-13(18)22)20(32)31-11-5-6-15(31)14(7-11)29-17-9-26-16(8-27-17)21(23,24)25/h2-4,8-9,11,14-15H,5-7H2,1H3,(H,27,29)
PubChem CID90445431
ChEMBLCHEMBL3663538
IUPHARN/A
BindingDB164124
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
465388Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517429Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
465389Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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