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Compound Detail

CHEMBL1080239

LINDERALACTONE
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C/C1=C\CCC2=C[C@@H](OC2=O)c2c(C)coc2C1

Basic Information

ChEMBL ID CHEMBL1080239
Name LINDERALACTONE
Phase Preclinical
Structure Type MOL
InChI Key LWCKQMHMTSRRAA-QGQQYVBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
3.39
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.52
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 C15H16O3
MW 244.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 3.01

Activity Summary

EC50 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HepG2
CHEMBL395
EC50 4.01 4.01 98000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HepG2 EC50 = 98000.0 nM 4.01 Hepatoprotective activity in human HepG2 cells assessed as inhibition of H2O2- i... 19639966

Literature References

PubMed DOI Target Context # Activities
22148193 10.1021/np100874f NON-PROTEIN TARGET 2
19639966 10.1021/np900354q HepG2 1

Data from ChEMBL 36 via Core Engine