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Ligand

NameCHEMBL3663499
Molecular formulaC23H22N8O
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight426.484
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM164075
US9062078, 230
BDBM164100
SCHEMBL16041110
US9062078, 205
Inchi KeyCSASZLQIJMDWMO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N8O/c1-14-6-8-20(31-25-10-11-26-31)22(27-14)23(32)30-15-7-9-19(30)18(12-15)29-21-13-24-16-4-2-3-5-17(16)28-21/h2-6,8,10-11,13,15,18-19H,7,9,12H2,1H3,(H,28,29)
PubChem CID90412570
ChEMBLCHEMBL3663499
IUPHARN/A
BindingDB164075, 164100
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
468967Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517565Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
468966Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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