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

CHEMBL195938

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
CC(=O)/C=C/c1cc(C(C)(C)C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195938
Phase Preclinical
Structure Type MOL
InChI Key PDQNTKJQMPKLPO-AATRIKPKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
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 C14H18O2
MW 218.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.31

Activity Summary

IC50 2 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 IC50 5.1 5.1 7998.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 7998.34 nM 5.1 Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... 15911266

Literature References

PubMed DOI Target Context # Activities
15911266 10.1016/j.bmcl.2005.03.087 Oryctolagus cuniculus 2

Data from ChEMBL 36 via Core Engine