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Ligand

NameSCHEMBL16031595
Molecular formulaC21H24F3N3O2
IUPAC name(2-ethoxyphenyl)-[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight407.437
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsUS9115117, 55
BDBM175153
Inchi KeyAJDWPJCBXKCGQC-RHSMWYFYSA-N
Inchi IDInChI=1S/C21H24F3N3O2/c1-3-29-18-9-5-4-7-16(18)20(28)27-12-6-8-17(14(27)2)26-19-11-10-15(13-25-19)21(22,23)24/h4-5,7,9-11,13-14,17H,3,6,8,12H2,1-2H3,(H,25,26)/t14-,17-/m1/s1
PubChem CID86271583
ChEMBLN/A
IUPHARN/A
BindingDB175153
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
557479Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
557478Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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