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Ligand

NameCHEMBL513681
Molecular formulaC20H18N4O4S
IUPAC name[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-thiophen-3-ylcarbamate
Molecular weight410.448
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50258672
SCHEMBL6505008
[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-3-ylcarbamate
Inchi KeyCRYQUEMGJRNSNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)
PubChem CID44574165
ChEMBLCHEMBL513681
IUPHARN/A
BindingDB50258672
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49258Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
49254Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
49256Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
49255Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
49257Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
49253Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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