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Compound Detail

CHEMBL950

BENZOYL FORMIC ACID
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O=C(O)C(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL950
Name BENZOYL FORMIC ACID
Phase Preclinical
Structure Type MOL
InChI Key FAQJJMHZNSSFSM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

150.1
MW (Da)
0.95
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H6O3
MW 150.13
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.09

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7265127 10.1021/jm00136a009 Pyruvate dehydrogenase kinase 5
11459664 10.1016/s0960-894x(01)00325-0 Tyrosine-protein phosphatase non-receptor type 1 1
458816 10.1021/jm00192a002 Unchecked 1
27156192 10.1016/j.bmc.2016.04.037 C-terminal-binding protein 2 1
31351848 10.1016/j.bmc.2019.07.027 Unchecked 1

Data from ChEMBL 36 via Core Engine