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Compound Detail

CHEMBL4108560

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CCCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1

Basic Information

ChEMBL ID CHEMBL4108560
Phase Preclinical
Structure Type MOL
InChI Key GEZYKKPPPXMKIW-XMTFNYHQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
0.51
ALogP
6
HBA
4
HBD
93.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29NO5
MW 339.43
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.46

Activity Summary

EC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal alpha-glucosidase
CHEMBL1667668
EC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysosomal alpha-glucosidase EC50 = 6600.0 nM 5.18 Enzyme Activity Assay: Cells were washed two times with 200 μL dPBS followed by ... -

Data from ChEMBL 36 via Core Engine