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Ligand

NameCHEMBL565169
Molecular formulaC18H22ClN3O3
IUPAC name5-chloro-1-[(1R)-1-cyclopropyl-2-hydroxyethyl]-3-(4-methoxy-2,5-dimethylanilino)pyrazin-2-one
Molecular weight363.842
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50293955
(R)-5-Chloro-1-(1-cyclopropyl-2-hydroxyethyl)-3-(4-methoxy-2,5-dimethylphenylamino)pyrazin-2(1H)-one
Inchi KeyBGWHXWXUGVBBRJ-AWEZNQCLSA-N
Inchi IDInChI=1S/C18H22ClN3O3/c1-10-7-15(25-3)11(2)6-13(10)20-17-18(24)22(8-16(19)21-17)14(9-23)12-4-5-12/h6-8,12,14,23H,4-5,9H2,1-3H3,(H,20,21)/t14-/m0/s1
PubChem CID44190147
ChEMBLCHEMBL565169
IUPHARN/A
BindingDB50293955
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
23480Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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