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Compound Detail

CHEMBL4103241

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O=c1cc(/C=C/c2cc(O)cc(O)c2)[nH]cc1O

Basic Information

ChEMBL ID CHEMBL4103241
Phase Preclinical
Structure Type MOL
InChI Key RCFIAFNBFYSSBS-OWOJBTEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
1.66
ALogP
4
HBA
4
HBD
93.5
PSA (Ų)
0.65
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 C13H11NO4
MW 245.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.96

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 6.06 6.06 880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 880.0 nM 6.06 Antioxidant activity assessed as ABTS radical scavenging activity incubated for ... 28061347

Literature References

PubMed DOI Target Context # Activities
28061347 10.1016/j.ejmech.2016.12.045 No relevant target 2
28061347 10.1016/j.ejmech.2016.12.045 Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine