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

CHEMBL5421006

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
C[C@H]1C[C@@H]2O[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O

Basic Information

ChEMBL ID CHEMBL5421006
Phase Preclinical
Structure Type MOL
InChI Key YSNMFFYDVUEGJH-AZEWMMITSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
0.20
ALogP
3
HBA
2
HBD
83.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12O5
MW 200.19
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.33

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein phosphatase 5
CHEMBL3425389
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein phosphatase 5 IC50 = 1000.0 nM 6.0 Inhibition of PPP5C (unknown origin) phosphatase domain 37054560

Literature References

PubMed DOI Target Context # Activities
37054560 10.1016/j.ejmech.2023.115350 Serine/threonine-protein phosphatase 5 1

Data from ChEMBL 36 via Core Engine