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Compound Detail

CHEMBL334240

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CC(=O)C1C(O)C=COC1C

Basic Information

ChEMBL ID CHEMBL334240
Phase Preclinical
Structure Type MOL
InChI Key AUCAJUVKIIVQTO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
0.48
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12O3
MW 156.18
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 2.09

Activity Summary

Ki 2 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tissue alpha-L-fucosidase
CHEMBL4176
Ki 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tissue alpha-L-fucosidase Ki = 90000.0 nM 4.05 Inhibition constant against Alpha-Fucosidase -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80649-6 Tissue alpha-L-fucosidase 2

Data from ChEMBL 36 via Core Engine