Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL86847

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1c(C)c2c(c(C)c1O)CCC(C)(CC[N+](C)(C)C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86847
Phase Preclinical
Structure Type MOL
InChI Key CYFUJFPQQKYUKZ-UHFFFAOYSA-O
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.50
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30NO2+
MW 292.44
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.74

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 1700.0 nM 5.77 Compound was evaluated for prevention of spontaneous lipid peroxidation in rat b... 1992125

Literature References

PubMed DOI Target Context # Activities
1992125 10.1021/jm00105a040 No relevant target 1
1992125 10.1021/jm00105a040 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine