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Compound Detail

CHEMBL370174

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CC(=O)/C=C/c1cc(Cl)ccc1O

Basic Information

ChEMBL ID CHEMBL370174
Phase Preclinical
Structure Type MOL
InChI Key JJJFJYKYPLNQEB-NSCUHMNNSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.6
MW (Da)
2.65
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.74
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 C10H9ClO2
MW 196.63
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.26

Activity Summary

IC50 2 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 4.22 4.22 60256.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 60255.96 nM 4.22 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