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Ligand

NameSCHEMBL4541596
Molecular formulaC22H24N4O3S
IUPAC name6-(4,6-dimethoxypyrimidin-5-yl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
Molecular weight424.519
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.2
SynonymsCHEMBL3903513
AERREAAADMJGLC-UHFFFAOYSA-N
BDBM203090
US9242970, 269
6-(4,6-dimethoxypyrimidin-5-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
Inchi KeyAERREAAADMJGLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O3S/c1-14-25-17(12-30-14)16-7-4-6-15(10-16)11-26-18(8-5-9-19(26)27)20-21(28-2)23-13-24-22(20)29-3/h4,6-7,10,12-13,18H,5,8-9,11H2,1-3H3
PubChem CID69085145
ChEMBLCHEMBL3903513
IUPHARN/A
BindingDB203090
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
536016Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536015Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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