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Quinazolinone

AlkaPlorer ID: AK008338

Synonym: None

IUPAC Name: 3H-quinazolin-4-one

Structure

SMILES: OC1=NC=NC2=CC=CC=C12

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InChI: InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

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InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Hydrangea febrifuga Hydrangea Hydrangeaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 146.14899999999997

TPSA？: 46.010000000000005

MolLogP？: 1.3354

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 79432.8 nM None
Homo sapiens 3-phosphoinositide dependent protein kinase-1 IC50 345000.0 nM 10.1021/ml100136n
Homo sapiens Arachidonate 15-lipoxygenase Potency 39810.7 nM None
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 15700.0 nM 10.1016/j.bmc.2016.11.039
Homo sapiens Carbonic anhydrase XII Ki 10460.0 nM 10.1016/j.bmc.2016.11.039
Homo sapiens Dihydrofolate reductase log(1/C) 3.62 None 10.1021/jm00227a006
Homo sapiens Geminin Potency 6513.1 nM None
Homo sapiens Histone deacetylase 6 Inhibition -14.6 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -1.07 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 IC50 nan None 10.1016/j.bmcl.2017.12.003
Homo sapiens PC-3 IC50 nan None 10.1016/j.bmcl.2017.12.003
Homo sapiens Phosphodiesterase 10A Ki 910000.0 nM 10.1021/acs.jmedchem.5b01813
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 5750.0 nM 10.1016/j.ejmech.2012.02.001
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 9500.0 nM 10.1021/jm010116l
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 15800.0 nM 10.1021/jm100012m
Homo sapiens Poly [ADP-ribose] polymerase-1 Inhibition 60.0 % 10.1016/j.ejmech.2012.02.001
Homo sapiens SGC-7901 IC50 nan None 10.1016/j.bmcl.2017.12.003
Homo sapiens Survival motor neuron protein Potency 1122.0 nM None
Mus musculus Mus musculus Activity nan None 10.1021/np970433o
Mycobacterium tuberculosis Purine nucleoside phosphorylase Kd 316227.77 nM 10.1016/j.bmc.2010.05.009
Rattus norvegicus Dihydrofolate reductase Log 1/C 3.62 None 10.1021/jm00361a012
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 37.21 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -10.42 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.24 % 10.6019/CHEMBL4495565
None Molecular identity unknown Activity 29.0 % 10.1021/np970433o
None NON-PROTEIN TARGET ED50 0.81 mmol/L 10.1016/j.ejmech.2013.12.024
None Unchecked Potency 290.9 nM None
None Unchecked Potency 730.8 nM None

Metabolism Information