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Compound Detail

CHEMBL256171

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C=C(C(=O)O)[C@H]1CC=C(/C=C/C(C)=O)[C@@H](C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256171
Phase Preclinical
Structure Type MOL
InChI Key ZRGVVFJDAHZPKJ-MFPXTQHRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.14
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.78
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 C15H20O3
MW 248.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.05

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18276135 10.1016/j.bmcl.2007.12.076 BV-2 1

Data from ChEMBL 36 via Core Engine