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Compound Detail

CHEMBL390624

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CCCCCCc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390624
Phase Preclinical
Structure Type MOL
InChI Key CPEPWESLFZVUEP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
3.51
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18O2
MW 206.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.18

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
406395 10.1021/jm00216a009 Rattus norvegicus 4
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
28154750 10.1039/C6MD00365F Unchecked 2

Data from ChEMBL 36 via Core Engine