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Compound Detail

CHEMBL408355

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OC[C@H]1NCC[C@@H]1O

Basic Information

ChEMBL ID CHEMBL408355
Phase Preclinical
Structure Type MOL
InChI Key TYLFLHPQWQQWRD-UHNVWZDZSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

117.2
MW (Da)
-1.30
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H11NO2
MW 117.15
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 2.68

Activity Summary

IC50 4 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen debranching enzyme
CHEMBL5272
IC50 4.32 4.32 48000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen debranching enzyme IC50 = 48000.0 nM 4.32 Inhibition of amylo-1,6-glucosidase 18258441

Literature References

PubMed DOI Target Context # Activities
18258441 10.1016/j.bmc.2008.01.032 Sucrase-isomaltase, intestinal 3
18258441 10.1016/j.bmc.2008.01.032 Glycogen debranching enzyme 1
18258441 10.1016/j.bmc.2008.01.032 Unchecked 1

Data from ChEMBL 36 via Core Engine