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Compound Detail

CHEMBL4779818

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CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779818
Phase Preclinical
Structure Type MOL
InChI Key GSEGHWAXDYOZNU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
1.75
ALogP
7
HBA
4
HBD
132.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14O7
MW 306.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.38

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 290.0 nM 6.54 Inhibition of biotinylated 5-(4-((Z)-3-Carboxy-3-hydroxyacryloyl)-4-(4-chloroben... 32883638

Literature References

PubMed DOI Target Context # Activities
32883638 10.1016/j.ejmech.2020.112754 Unchecked 3

Data from ChEMBL 36 via Core Engine