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Compound Detail

CHEMBL17096

PALASONIN
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C[C@]12C(=O)OC(=O)[C@H]1C1CC[C@H]2O1

Basic Information

ChEMBL ID CHEMBL17096
Name PALASONIN
Phase Preclinical
Structure Type MOL
InChI Key RJXMWQSSXZMNIT-ZZECOBPMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
0.25
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.40
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 C9H10O4
MW 182.17
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 2.13

Activity Summary

IC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-threonine protein phosphatase 2A regulatory subunit
CHEMBL2669
IC50 6.92 6.92 120.0 1
Unchecked
CHEMBL612545
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11881984 10.1021/jm010066k Unchecked 2
11881984 10.1021/jm010066k Serine-threonine protein phosphatase 2A regulatory subunit 1

Data from ChEMBL 36 via Core Engine