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

CHEMBL110096

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
CCCCCCCCOC(=O)C1=C(O)O[C@H](CO)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110096
Phase Preclinical
Structure Type MOL
InChI Key WMBHWLZSPMFXGY-SNVBAGLBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.62
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22O6
MW 286.32
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.98

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11563920 10.1021/jm0100741 Dual specificity protein phosphatase 3 1
11563920 10.1021/jm0100741 M-phase inducer phosphatase 2 1
11563920 10.1021/jm0100741 Unchecked 1

Data from ChEMBL 36 via Core Engine