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Ligand

NameCHEMBL3977337
Molecular formulaC24H25N3O3
IUPAC name(3-ethoxyisoquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight403.482
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM64946
SCHEMBL16039385
US9475819, 164
Inchi KeyDQXRZOLGSQYVPN-NSHGMRRFSA-N
Inchi IDInChI=1S/C24H25N3O3/c1-2-29-23-22(19-8-4-3-7-16(19)14-26-23)24(28)27-18-10-11-20(27)17(13-18)15-30-21-9-5-6-12-25-21/h3-9,12,14,17-18,20H,2,10-11,13,15H2,1H3/t17-,18+,20-/m0/s1
PubChem CID90411329
ChEMBLCHEMBL3977337
IUPHARN/A
BindingDB64946
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
537621Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
537623Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
537622Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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