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Compound Detail

CHEMBL371357

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

Basic Information

ChEMBL ID CHEMBL371357
Phase Preclinical
Structure Type MOL
InChI Key QMGCGQZBFYLMPR-NSCUHMNNSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.70
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.53
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 C10H10O3
MW 178.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.32

Activity Summary

IC50 2 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 5.84 5.84 1428.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 1428.89 nM 5.84 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
26796952 10.1016/j.bmc.2015.12.049 No relevant target 1
26796952 10.1016/j.bmc.2015.12.049 Unchecked 1

Data from ChEMBL 36 via Core Engine