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Compound Detail

CHEMBL1093739

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CCCCC/C=C\C=C\C(O)CCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093739
Phase Preclinical
Structure Type MOL
InChI Key IURDERPTOIPTCU-BQGCWICQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.4
MW (Da)
3.69
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H26O3
MW 254.37
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.08

Literature References

PubMed DOI Target Context # Activities
20176483 10.1016/j.bmcl.2010.01.165 Unchecked 1

Data from ChEMBL 36 via Core Engine