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Compound Detail

CHEMBL139078

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O=C(O)c1ccc2c(O)c(C(=O)O)cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139078
Phase Preclinical
Structure Type MOL
InChI Key QLHSVJRXHWXBHT-UHFFFAOYSA-N
0
Targets
12
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
1.34
ALogP
4
HBA
3
HBD
107.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7NO5
MW 233.18
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.44

Activity Summary

IC50 12 meas.

Literature References

PubMed DOI Target Context # Activities
894670 10.1021/jm00218a003 Ehrlich 2
894670 10.1021/jm00218a003 Malate dehydrogenase, mitochondrial 2
7086823 10.1021/jm00343a011 Malate dehydrogenase, mitochondrial 1
7086823 10.1021/jm00343a011 Malate dehydrogenase, cytoplasmic 1
7086823 10.1021/jm00343a011 NON-PROTEIN TARGET 1
7086823 10.1021/jm00343a011 Ehrlich 1
3981536 10.1021/jm00382a010 Malate dehydrogenase, mitochondrial 1
3981536 10.1021/jm00382a010 Malate dehydrogenase, cytoplasmic 1
3981536 10.1021/jm00382a010 Unchecked 1
3981536 10.1021/jm00382a010 Ehrlich 1
17064064 10.1021/jm050048t Casein kinase II 1

Data from ChEMBL 36 via Core Engine