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Compound Detail

CHEMBL383635

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COc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2

Basic Information

ChEMBL ID CHEMBL383635
Phase Preclinical
Structure Type MOL
InChI Key FCSLURPTIIPHNL-DGCLKSJQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
1.91
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O
MW 218.30
Aromatic Rings 1
Heavy Atoms 16

Activity Summary

IC50 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
IC50 4.48 4.48 33113.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity IC50 = 33113.11 nM 4.48 Antioxidant activity in unilamellar DOPC liposomes 16610797

Literature References

PubMed DOI Target Context # Activities
16610797 10.1021/jm060041r Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine