Showing entry for Paraxanthine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046559
Compound NameParaxanthine
Structure
FormulaC7H8N4O2
InchiKeyQUNWUDVFRNGTCO-UHFFFAOYSA-N
SMILESCn1c(O)nc2c(c1=O)n(C)cn2
InchiInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
IUPAC1,7-dimethyl-3H-purine-2,6-dione
Molecular Weight180.06
Pubchem Id4687
Chembl IdCHEMBL1158
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 50042210
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 >10000 - - -
reviewed BXGT009236 Adenosine receptor A1 reviewed ADORA1 >10000 - - -
reviewed BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A >10000 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 21000 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 32000 - - -
CHEMBL CHEMBL1158
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
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 94 %
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 31622 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 21000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 631 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 88 %
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 39810 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 4 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 22 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 168 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 84921 nM
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 10000 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 32000 nM
P29276 BXGT009329 Adenosine receptor A2b reviewed - Adora2b Ki '=' 32000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3162 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 10000 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 10000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 112201 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 6309 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 1258 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01476 Stephania tetrandra Stephania tetrandra Medicinal Plant
BXGF01549 Sinomenium acutum Sinomenium acutum Medicinal Plant
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