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Compound Detail

CHEMBL12932

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[O-][N+]1=Cc2ccccc2CC12CCCCC2

Basic Information

ChEMBL ID CHEMBL12932
Phase Preclinical
Structure Type MOL
InChI Key QRNXRSXIOHLEPD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

215.3
MW (Da)
2.87
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.48
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 C14H17NO
MW 215.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.38

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Liposome
CHEMBL614676
IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Liposome IC50 = 8000.0 nM 5.1 In vitro inhibition of peroxyl radical-dependent oxidation of liposomes from soy... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00181-3 Liposome 1

Data from ChEMBL 36 via Core Engine