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Compound Detail

CHEMBL593679

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C[C@@H]1N=C[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL593679
Phase Preclinical
Structure Type MOL
InChI Key QWXULCZCTYGDOT-VAYJURFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

115.1
MW (Da)
-0.82
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H9NO2
MW 115.13
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.36

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tissue alpha-L-fucosidase
CHEMBL3545
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19875298 10.1016/j.bmc.2009.10.010 Tissue alpha-L-fucosidase 1
19875298 10.1016/j.bmc.2009.10.010 Unchecked 1

Data from ChEMBL 36 via Core Engine