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name Structure Reference Source Properties Activities Metabolism

Benzoylenurea

AlkaPlorer ID: AK028253

Synonym: None

IUPAC Name: 1H-quinazoline-2,4-dione

Structure

SMILES: OC1=NC(O)=C2C=CC=CC2=N1

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InChI: InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

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InChIKey: SDQJTWBNWQABLE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 162.14799999999997

TPSA？: 66.24000000000001

MolLogP？: 1.0409999999999997

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Carbonic anhydrase I Ki 500000.0 nM 10.1016/j.bmc.2016.11.039
Homo sapiens Carbonic anhydrase II Ki 500000.0 nM 10.1016/j.bmc.2016.11.039
Homo sapiens Carbonic anhydrase IX Ki 13700.0 nM 10.1016/j.bmc.2016.11.039
Homo sapiens Carbonic anhydrase XII Ki 8650.0 nM 10.1016/j.bmc.2016.11.039
Homo sapiens Dihydrofolate reductase log(1/C) 3.89 None 10.1021/jm00227a006
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 4.5 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens Geminin Potency 1636.0 nM None
Homo sapiens Histone acetyltransferase GCN5 Potency 25118.9 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens Phosphodiesterase 3A Inhibition 59.0 % 10.1016/j.ejmech.2007.10.027
Homo sapiens Phosphodiesterase 4B Inhibition 1.7 % 10.1016/j.ejmech.2007.10.027
Homo sapiens Phosphodiesterase 7A Inhibition 8.4 % 10.1016/j.ejmech.2007.10.027
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 8100.0 nM 10.1021/jm010116l
Rattus norvegicus Dihydrofolate reductase Log 1/C 3.89 None 10.1021/jm00361a012
Rattus norvegicus Dihydrofolate reductase Log 1/C 3.89 None 10.1021/jm00373a016

Metabolism Information