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Compound Detail

CHEMBL4279369

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[O-]/[N+](Cc1ccccc1)=C1/CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL4279369
Phase Preclinical
Structure Type MOL
InChI Key BSBWVPNPDJKPOF-MSUUIHNZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.13
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.45
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 C16H15NO
MW 237.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.32

Activity Summary

EC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
EC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target EC50 = 1200.0 nM 5.92 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 6
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