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Compound Detail

CHEMBL17594

QUINIZARIN
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O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL17594
Name QUINIZARIN
Phase Preclinical
Structure Type MOL
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

240.2
MW (Da)
1.87
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H8O4
MW 240.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.64

Activity Summary

IC50 2 meas. best 7.19
Ki 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] A
CHEMBL1951
 Ki 7.41 7.41 39.0 1
Amine oxidase [flavin-containing] A
CHEMBL1951
 IC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] A Ki = 39.0 nM 7.41 Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... 34915314
Amine oxidase [flavin-containing] A IC50 = 65.0 nM 7.19 Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... 34915314

Literature References

PubMed DOI Target Context # Activities
21531052 10.1016/j.ejmech.2011.03.034 Nucleic Acid 10
30846253 10.1016/j.bmcl.2019.02.026 DNA topoisomerase II 6
2558164 10.1021/np50065a012 Raji 4
2558164 10.1021/np50065a012 Unchecked 4
24657570 10.1016/j.ejmech.2014.02.006 NON-PROTEIN TARGET 4
11459643 10.1016/s0960-894x(01)00318-3 Estrogen receptor 3
2213033 10.1021/np50069a014 NON-PROTEIN TARGET 3
- 10.1007/s00044-012-0197-5 NON-PROTEIN TARGET 3
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A1 2
15828820 10.1021/jm0492655 Brugia malayi 2
17220400 10.1128/aac.00999-06 Streptococcus mutans 2
34915314 10.1016/j.bmc.2021.116558 Amine oxidase [flavin-containing] A 2
18799313 10.1016/j.bmcl.2008.08.072 Casein kinase I isoform delta 1
20005021 10.1016/j.ejmech.2009.11.042 Unchecked 1
34915314 10.1016/j.bmc.2021.116558 Unchecked 1
20005021 10.1016/j.ejmech.2009.11.042 L929 1
18799313 10.1016/j.bmcl.2008.08.072 Casein kinase I isoform alpha 1
18799313 10.1016/j.bmcl.2008.08.072 Casein kinase I isoform gamma-1 1
11354370 10.1016/s0960-894x(01)00165-2 B16 1
11354370 10.1016/s0960-894x(01)00165-2 A-431 1

Data from ChEMBL 36 via Core Engine