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Compound Detail

CHEMBL4763188

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O=C(c1ccc(O)c(O)c1)C1(O)Oc2cc(O)cc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763188
Phase Preclinical
Structure Type MOL
InChI Key UYFQPTAFLCOYSM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.2
MW (Da)
0.66
ALogP
8
HBA
5
HBD
144.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10O8
MW 318.24
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.55

Activity Summary

IC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.01 5.01 9800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9800.0 nM 5.01 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 1

Data from ChEMBL 36 via Core Engine