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Ligand

NameCHEMBL92364
Molecular formulaC11H12N4O4
IUPAC name(E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoic acid
Molecular weight264.241
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP-0.1
SynonymsBDBM50037430
(E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid
DIPYUSYJTRLJJR-SNAWJCMRSA-N
8-(trans-2-Carboxyvinyl)-1,3,7-trimethylxanthine
3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid anion
[ Show all ]
Inchi KeyDIPYUSYJTRLJJR-SNAWJCMRSA-N
Inchi IDInChI=1S/C11H12N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H,1-3H3,(H,16,17)/b5-4+
PubChem CID44322636
ChEMBLCHEMBL92364
IUPHARN/A
BindingDB50037430
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
60971Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
60970Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
60972Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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