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Compound Detail

CHEMBL4287692

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C/[N+]([O-])=C1\CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL4287692
Phase Preclinical
Structure Type MOL
InChI Key GAVCNHJHEVSYGF-KHPPLWFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

161.2
MW (Da)
1.56
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11NO
MW 161.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.39

Activity Summary

EC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
EC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target EC50 = 1300.0 nM 5.89 Antioxidant activity assessed as DPPH free radical scavenging after 10 mins by U... 30108923

Literature References

PubMed DOI Target Context # Activities
30108923 10.1039/C7MD00537G No relevant target 4
30108923 10.1039/C7MD00537G K562 2
30108923 10.1039/C7MD00537G HOS-TE85 1
30108923 10.1039/C7MD00537G MG-63 1

Data from ChEMBL 36 via Core Engine