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Ligand

NameCHEMBL3659204
Molecular formulaC24H21FN6O2
IUPAC name[2-fluoro-6-(triazol-2-yl)phenyl]-[2-(quinoxalin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight444.47
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM163904
SCHEMBL16039981
US9062078, 35
Inchi KeyARNAHJXACBMLJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21FN6O2/c25-17-4-3-7-21(31-27-10-11-28-31)23(17)24(32)30-16-8-9-20(30)15(12-16)14-33-22-13-26-18-5-1-2-6-19(18)29-22/h1-7,10-11,13,15-16,20H,8-9,12,14H2
PubChem CID90411709
ChEMBLCHEMBL3659204
IUPHARN/A
BindingDB163904
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
464390Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517384Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464389Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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