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Compound Detail

CHEMBL5188686

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

Basic Information

ChEMBL ID CHEMBL5188686
Phase Preclinical
Structure Type MOL
InChI Key QUUYIUNMVCBKPD-HZSPNIEDSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
1.18
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H29NO3
MW 259.39
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.11

Activity Summary

IC50 6 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acidic alpha-glucosidase
CHEMBL3513
IC50 4.18 4.18 66000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acidic alpha-glucosidase IC50 = 66000.0 nM 4.18 Inhibition of rat intestinal maltase assessed as release of D-glucose using malt... 35255314

Literature References

PubMed DOI Target Context # Activities
35255314 10.1016/j.ejmech.2022.114230 Unchecked 11
35255314 10.1016/j.ejmech.2022.114230 Acidic alpha-glucosidase 1
35255314 10.1016/j.ejmech.2022.114230 Sucrase-isomaltase, intestinal 1
35255314 10.1016/j.ejmech.2022.114230 Lysosomal alpha-glucosidase 1
35255314 10.1016/j.ejmech.2022.114230 Alpha-galactosidase 1
35255314 10.1016/j.ejmech.2022.114230 Alpha-mannosidase 1
35255314 10.1016/j.ejmech.2022.114230 Tissue alpha-L-fucosidase 1

Data from ChEMBL 36 via Core Engine