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Compound Detail

CHEMBL5566969

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Cc1cccc(/C=C/C(=O)Nn2ccc(=O)c(O)c2C)c1C

Basic Information

ChEMBL ID CHEMBL5566969
Phase Preclinical
Structure Type MOL
InChI Key IYKHNBZGPRCELS-BQYQJAHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.26
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.99 4.99 10210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 10210.0 nM 4.99 Antioxidant activity assessed as ABTS radical scavenging activity incubated in d... 37976709

Literature References

PubMed DOI Target Context # Activities
37976709 10.1016/j.ejmech.2023.115945 No relevant target 10

Data from ChEMBL 36 via Core Engine