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Compound Detail

CHEMBL4292488

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O=c1cc(/C=C/c2ccc(Cl)cc2)occ1O

Basic Information

ChEMBL ID CHEMBL4292488
Phase Preclinical
Structure Type MOL
InChI Key SZATYONXMPYOJV-ZZXKWVIFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.7
MW (Da)
3.17
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClO3
MW 248.66
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.50

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 5.71 5.71 1950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 1950.0 nM 5.71 Antioxidant activity assessed as ABTS radical scavenging activity incubated for ... 30360953

Literature References

PubMed DOI Target Context # Activities
30360953 10.1016/j.bmc.2018.08.011 Amyloid-beta precursor protein 2
30360953 10.1016/j.bmc.2018.08.011 No relevant target 1

Data from ChEMBL 36 via Core Engine