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Compound Detail

CHEMBL513113

LUCINONE
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CC(=O)[C@H]1CC[C@]2(C)CC[C@@H]([C@](C)(O)CO)C[C@]12O

Basic Information

ChEMBL ID CHEMBL513113
Name LUCINONE
Phase Preclinical
Structure Type MOL
InChI Key OOGCMCFBTNWRDG-QMIVOQANSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
1.27
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H26O4
MW 270.37
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.34

Activity Summary

IC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 1
CHEMBL221
IC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 1 IC50 = 43000.0 nM 4.37 Inhibition of COX1 16038536

Literature References

PubMed DOI Target Context # Activities
16038536 10.1021/np049655u Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine