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Compound Detail

CHEMBL5422487

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OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccc(C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL5422487
Phase Preclinical
Structure Type MOL
InChI Key JUIIKCVXDUPZBI-RBSFLKMASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.43
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22F3NO3
MW 333.35
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.27

Activity Summary

Ki 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal alpha-glucosidase
CHEMBL2608
Ki 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37314161 10.1021/acs.jmedchem.3c00637 Lysosomal alpha-glucosidase 5
37314161 10.1021/acs.jmedchem.3c00637 Unchecked 1

Data from ChEMBL 36 via Core Engine