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Ligand

NameCHEMBL3659205
Molecular formulaC25H24N6O2
IUPAC name[5-methyl-2-(triazol-2-yl)phenyl]-[2-(quinoxalin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight440.507
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM163905
SCHEMBL16040620
US9062078, 36
Inchi KeyAGBXAMCFFKILCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N6O2/c1-16-6-8-23(31-27-10-11-28-31)19(12-16)25(32)30-18-7-9-22(30)17(13-18)15-33-24-14-26-20-4-2-3-5-21(20)29-24/h2-6,8,10-12,14,17-18,22H,7,9,13,15H2,1H3
PubChem CID90412183
ChEMBLCHEMBL3659205
IUPHARN/A
BindingDB163905
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
463464Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
463463Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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