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Compound Detail

CHEMBL1911138

GRAVEOLIDE
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C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)C[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911138
Name GRAVEOLIDE
Phase Preclinical
Structure Type MOL
InChI Key DCKYPAZZUYXYTC-SCGWIAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.50
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
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 3.31

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.04 5.04 9200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 9200.0 nM 5.04 Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... 21894898

Literature References

PubMed DOI Target Context # Activities
21894898 10.1021/np200319x RAW264.7 2

Data from ChEMBL 36 via Core Engine