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Compound Detail

CHEMBL186150

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CCCCCCN1CC(O)C(O)C(O)C1CO

Basic Information

ChEMBL ID CHEMBL186150
Phase Preclinical
Structure Type MOL
InChI Key KRNOSIJCJVCXKU-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
-0.67
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.47
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 C12H25NO4
MW 247.33
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.22

Activity Summary

IC50 6 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 6.35 6.0433 450.0 3
Alpha-glucosidase
CHEMBL5280
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15546715 10.1016/j.bmcl.2004.09.086 Sucrase-isomaltase, intestinal 3
15546715 10.1016/j.bmcl.2004.09.086 Alpha-glucosidase 1
15546715 10.1016/j.bmcl.2004.09.086 Unchecked 1
15546715 10.1016/j.bmcl.2004.09.086 Beta-glucosidase 1
15546715 10.1016/j.bmcl.2004.09.086 Beta-glucosidase A 1

Data from ChEMBL 36 via Core Engine