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Compound Detail

CHEMBL56976

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COc1ccc(C(=O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56976
Phase Preclinical
Structure Type MOL
InChI Key IDTFANFXLFNLMC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
0.96
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H8O4
MW 180.16
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7265127 10.1021/jm00136a009 Pyruvate dehydrogenase kinase 5
7265127 10.1021/jm00136a009 Rattus norvegicus 1
11459664 10.1016/s0960-894x(01)00325-0 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine