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Ligand

NameSCHEMBL4536986
Molecular formulaC22H24N4O3
IUPAC name6-(2,6-dimethoxyphenyl)-1-[(6-pyrazol-1-ylpyridin-2-yl)methyl]piperidin-2-one
Molecular weight392.459
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.4
SynonymsCHEMBL3940216
AGYMHIIXXBFDHS-UHFFFAOYSA-N
BDBM202907
US9242970, 51
1-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
Inchi KeyAGYMHIIXXBFDHS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O3/c1-28-18-9-5-10-19(29-2)22(18)17-8-4-12-21(27)25(17)15-16-7-3-11-20(24-16)26-14-6-13-23-26/h3,5-7,9-11,13-14,17H,4,8,12,15H2,1-2H3
PubChem CID69082861
ChEMBLCHEMBL3940216
IUPHARN/A
BindingDB202907
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
536074Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536075Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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