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Compound Detail

CHEMBL459184

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CCOC(=O)/C=C/C=C(/C)CCC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459184
Phase Preclinical
Structure Type MOL
InChI Key OUMILASNGJWLED-JSJZFMHOSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
3.80
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.30
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 C14H22O2
MW 222.33
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.99

Activity Summary

IC50 2 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19072688 10.1021/jm8008019 Thermolysin 5

Data from ChEMBL 36 via Core Engine