Showing entry for 7-Methylxanthine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001409
Compound Name7-Methylxanthine
Structure
FormulaC6H6N4O2
InchiKeyPFWLFWPASULGAN-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)NC(=O)N2
InchiInChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
IUPAC7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Molecular Weight166.14
Pubchem Id68374
Chembl IdCHEMBL321248
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 82522
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 52.3 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 37.7 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 33000 - - -
reviewed BXGT022246 Guanine deaminase reviewed Enzyme GDA 5550 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 59000 - - -
CHEMBL CHEMBL321248
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q9Y2T3 BXGT022246 Guanine deaminase reviewed Enzyme GDA Inhibition - - -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 33000 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 59000 nM
P29276 BXGT009329 Adenosine receptor A2b reviewed - Adora2b Ki '=' 59000 nM
Q9Y2T3 BXGT022246 Guanine deaminase reviewed Enzyme GDA Ki '=' 5550 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00059 Arabica coffee Coffea arabica Coffee and coffee products
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease