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Ligand

NameCHEMBL3663502
Molecular formulaC25H23N7O
IUPAC name(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight437.507
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsUS9062078, 208
BDBM164078
SCHEMBL16040205
Inchi KeyBOIVPFOYSUFNKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N7O/c1-15-7-9-17(24-26-11-4-12-27-24)23(29-15)25(33)32-16-8-10-21(32)20(13-16)31-22-14-28-18-5-2-3-6-19(18)30-22/h2-7,9,11-12,14,16,20-21H,8,10,13H2,1H3,(H,30,31)
PubChem CID90411872
ChEMBLCHEMBL3663502
IUPHARN/A
BindingDB164078
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
466460Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517468Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
466459Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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