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Compound Detail

CHEMBL2164024

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CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL2164024
Phase Preclinical
Structure Type MOL
InChI Key PMSTUSHNMMAWCI-UXXRCYHCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
0.54
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H31NO4
MW 289.42
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.65

Activity Summary

EC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal alpha-glucosidase
CHEMBL1667668
EC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysosomal alpha-glucosidase EC50 = 7000.0 nM 5.16 Enzyme Activity Assay: Cells were washed two times with 200 μL dPBS followed by ... -

Literature References

PubMed DOI Target Context # Activities
22762530 10.1021/jm3006178 Lysosomal acid glucosylceramidase 1

Data from ChEMBL 36 via Core Engine