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Compound Detail

CHEMBL3311515

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Cc1ccc(CCCC[C@@H]2N[C@@H](CO)[C@H](O)[C@H]2O)cc1

Basic Information

ChEMBL ID CHEMBL3311515
Phase Preclinical
Structure Type MOL
InChI Key AOTIJLLHMOIGTB-VGWMRTNUSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
0.76
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO3
MW 279.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.22

Activity Summary

IC50 3 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 7.35 6.775 45.0 2
Acidic alpha-glucosidase
CHEMBL3513
IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24973028 10.1016/j.bmcl.2014.06.001 Sucrase-isomaltase, intestinal 4
24973028 10.1016/j.bmcl.2014.06.001 Acidic alpha-glucosidase 2

Data from ChEMBL 36 via Core Engine