Showing entry for Benzoylenurea


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029783
Compound NameBenzoylenurea
Structure
FormulaC8H6N2O2
InchiKeySDQJTWBNWQABLE-UHFFFAOYSA-N
SMILESOc1nc2ccccc2c(n1)O
InchiInChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
IUPAC1H-quinazoline-2,4-dione
Molecular Weight162.04
Pubchem Id64048
Chembl IdCHEMBL421646
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 50106196
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 BXGT006934 Poly [ADP-ribose] polymerase 1 reviewed PARP1 - 8100 - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 >500000 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 13700 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >500000 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 8650 - - -
CHEMBL CHEMBL421646
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
Q13946 BXGT013406 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A reviewed - PDE7A Inhibition '=' 8 %
Q14432 BXGT013469 cGMP-inhibited 3',5'-cyclic phosphodiesterase A reviewed - PDE3A Inhibition '=' 59 %
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 4 nM
Q07343 BXGT012926 cAMP-specific 3',5'-cyclic phosphodiesterase 4B reviewed - PDE4B Inhibition '=' 1 %
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 25118 nM
Q920D2 BXGT019334 Dihydrofolate reductase reviewed - Dhfr Log 1/C '=' 3 -
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 8650 nM
P09874 BXGT006934 Poly [ADP-ribose] polymerase 1 reviewed - PARP1 IC50 '=' 8100 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1636 nM
P00374 BXGT005520 Dihydrofolate reductase reviewed Enzyme DHFR log(1/C) '=' 3 -
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 500000 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 500000 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 13700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05297 Isatis tinctoria Isatis tinctoria Medicinal Plant
BXGF06143 Persicaria tinctoria Persicaria tinctoria 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