Showing entry for Etofylline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0013612
Compound NameEtofylline
Structure
FormulaC9H12N4O3
InchiKeyNWPRCRWQMGIBOT-UHFFFAOYSA-N
SMILESOCCn1cnc2c1c(=O)n(C)c(=O)n2C
InchiInChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
IUPAC7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Molecular Weight224.09
Pubchem Id1892
Chembl IdCHEMBL699
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 50025585
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 105000 - - -
reviewed BXGT010529 Adenosine receptor A2a reviewed ADORA2A 135000 - - -
reviewed BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B 17300 - - -
CHEMBL CHEMBL699
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
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B Ki '=' 17300 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 64 %
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 67 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 2238 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 17782 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 105000 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 3162 nM
P46616 BXGT010529 Adenosine receptor A2a reviewed - ADORA2A Ki '=' 135000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 223 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 22387 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 35481 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 461 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 86 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02792 Ligusticum sinense Ligusticum sinense Medicinal Plant
BXGF03379 Cnidium officinale Cnidium officinale 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