Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL8066

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC12C(=O)OC(=O)C1(C)C1CCC2O1

Basic Information

ChEMBL ID CHEMBL8066
Phase Preclinical
Structure Type MOL
InChI Key DHZBEENLJMYSHQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
0.64
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.42
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 C10H12O4
MW 196.20
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.88

Activity Summary

IC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.4 8.4 4.0 1
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
CHEMBL3557
IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00166-7 Unchecked 3
- 10.1016/0960-894X(96)00166-7 Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform 1

Data from ChEMBL 36 via Core Engine