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Ligand

NameCHEMBL3905361
Molecular formulaC20H21F3N8O
IUPAC name[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight446.438
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM60573
SCHEMBL16032702
Inchi KeyAXADKMWRPJJTBF-UONOGXRCSA-N
Inchi IDInChI=1S/C20H21F3N8O/c1-12-8-15(31-27-5-6-28-31)18(26-9-12)19(32)30-7-3-4-14(13(30)2)29-17-11-24-16(10-25-17)20(21,22)23/h5-6,8-11,13-14H,3-4,7H2,1-2H3,(H,25,29)/t13-,14+/m0/s1
PubChem CID86271773
ChEMBLCHEMBL3905361
IUPHARN/A
BindingDB60573
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
536406Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536407Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
536405Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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