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Compound Detail

CHEMBL109577

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O=C(OCc1ccccc1)C1=C(O)O[C@H](CO)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109577
Phase Preclinical
Structure Type MOL
InChI Key KCNGANCZMIVGOL-SECBINFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
0.46
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12O6
MW 264.23
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.73

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