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Ligand

NameCHEMBL257256
Molecular formulaC16H18ClN3O2S
IUPAC nameN-[6-[(3-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
Molecular weight351.849
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM21233
2-mercaptopyrimidine analogue, 5l
N-{6-[(3-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide
Inchi KeyAESHNCRRLLSPTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)
PubChem CID24768446
ChEMBLCHEMBL257256
IUPHARN/A
BindingDB21233
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
3815Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
3814Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
3816Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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