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Compound Detail

CHEMBL108088

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O=C(OC1CCCCC1)C1=C(O)O[C@H](CO)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108088
Phase Preclinical
Structure Type MOL
InChI Key LHMHHNMEPIOLNS-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
0.59
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16O6
MW 256.25
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.22

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