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Compound Detail

CHEMBL116158

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CC(C)c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116158
Phase Preclinical
Structure Type MOL
InChI Key CKMXAIVXVKGGFM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
2.51
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12O2
MW 164.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.27

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
1527790 10.1021/jm00096a014 No relevant target 1
24269123 10.1016/j.bmcl.2013.11.004 Unchecked 1
32031798 10.1021/acs.jmedchem.9b01746 ATP-dependent Clp protease proteolytic subunit 1

Data from ChEMBL 36 via Core Engine