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Compound Detail

CHEMBL5192700

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

Basic Information

ChEMBL ID CHEMBL5192700
Phase Preclinical
Structure Type MOL
InChI Key QUUYIUNMVCBKPD-MJBXVCDLSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
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 5 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 6.17 6.17 680.0 1
Acidic alpha-glucosidase
CHEMBL3513
IC50 6.02 6.02 960.0 1
Lysosomal alpha-glucosidase
CHEMBL2608
IC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35255314 10.1016/j.ejmech.2022.114230 Sucrase-isomaltase, intestinal 2
35255314 10.1016/j.ejmech.2022.114230 Unchecked 2
35255314 10.1016/j.ejmech.2022.114230 Acidic alpha-glucosidase 1
35255314 10.1016/j.ejmech.2022.114230 Lysosomal alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine