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Compound Detail

CHEMBL402196

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CC(=O)c1ccc(O)c(N)c1O

Basic Information

ChEMBL ID CHEMBL402196
Phase Preclinical
Structure Type MOL
InChI Key KPDYLYIPGFUWIA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

167.2
MW (Da)
0.88
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9NO3
MW 167.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.56

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 8.3 6.87 5.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18039578 10.1016/j.bmcl.2007.11.032 Sucrase-isomaltase, intestinal 3
18039578 10.1016/j.bmcl.2007.11.032 Unchecked 2
18039578 10.1016/j.bmcl.2007.11.032 Alpha-galactosidase 1
18039578 10.1016/j.bmcl.2007.11.032 Beta-galactosidase 1
18039578 10.1016/j.bmcl.2007.11.032 Alpha-amylase 1

Data from ChEMBL 36 via Core Engine