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Compound Detail

CHEMBL347285

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O=C(O)/C=C(/CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347285
Phase Preclinical
Structure Type MOL
InChI Key GTZCVFVGUGFEME-IWQZZHSRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

174.1
MW (Da)
-0.44
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H6O6
MW 174.11
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7853346 10.1021/jm00003a016 ATP-citrate synthase 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23547775 10.1021/jm400193d Alpha-ketoglutarate-dependent dioxygenase FTO 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
30737136 10.1016/j.bmc.2019.01.018 Prolyl 4-hydroxylase 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
34046597 10.1039/d0md00301h Unchecked 1

Data from ChEMBL 36 via Core Engine