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Compound Detail

CHEMBL116157

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CCCCc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116157
Phase Preclinical
Structure Type MOL
InChI Key JFKUBRAOUZEZSL-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
2.73
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H14O2
MW 178.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.05

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

Data from ChEMBL 36 via Core Engine