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Compound Detail

CHEMBL5571374

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CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)cc2O)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571374
Phase Preclinical
Structure Type MOL
InChI Key MBNVJLUANNOBHF-SOFGYWHQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.91
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O5
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.46

Activity Summary

IC50 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BV-2
CHEMBL614781
 IC50 5.65 5.65 2260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BV-2 IC50 = 2260.0 nM 5.65 Anti-inflammatory activity in mouse BV-2 cells assessed as reduction in LPS-indu... 37683361

Literature References

PubMed DOI Target Context # Activities
37683361 10.1016/j.ejmech.2023.115791 BV-2 1

Data from ChEMBL 36 via Core Engine