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Compound Detail

CHEMBL2283266

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O=c1cc(/C=C/c2ccccc2)occ1O

Basic Information

ChEMBL ID CHEMBL2283266
Phase Preclinical
Structure Type MOL
InChI Key MNHOQMDYICSUMJ-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
2.52
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.84
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 C13H10O3
MW 214.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.86

Activity Summary

IC50 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 5.65 5.65 2250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 2250.0 nM 5.65 Antioxidant activity assessed as ABTS radical scavenging activity incubated for ... 30360953

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0094-y HeLa 4
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