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Ligand

NameCHEMBL3691824
Molecular formulaC21H18F3N5O2
IUPAC name[2-(1,2,4-triazol-4-yl)phenyl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight429.403
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.0
SynonymsSCHEMBL16045602
US8969352, 21
BDBM143760
Inchi KeyCTAUDMRXJCJSKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F3N5O2/c22-21(23,24)14-5-6-19(25-9-14)31-18-8-13-7-17(18)29(10-13)20(30)15-3-1-2-4-16(15)28-11-26-27-12-28/h1-6,9,11-13,17-18H,7-8,10H2
PubChem CID86271970
ChEMBLCHEMBL3691824
IUPHARN/A
BindingDB143760
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
469059Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
469060Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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