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Compound Detail

CHEMBL5405890

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CCCCO[C@H]1C[C@@H]2O[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405890
Phase Preclinical
Structure Type MOL
InChI Key DCQZGTQVHYQLJT-BQHMLIOBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
0.74
ALogP
4
HBA
2
HBD
93.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18O6
MW 258.27
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.87

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein phosphatase 5
CHEMBL3425389
 IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein phosphatase 5 IC50 = 700.0 nM 6.16 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