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Compound Detail

CHEMBL3349443

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OC[C@@]1(O)C[C@H](NC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3349443
Phase Preclinical
Structure Type MOL
InChI Key ONPHRCLQNNGLIT-TZQHNGSUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
-1.13
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO5
MW 309.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.47

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL2748
IC50 7.85 7.85 14.0 1
Maltase-glucoamylase
CHEMBL2074
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3519969 10.1021/jm00156a023 Maltase-glucoamylase 1
3519969 10.1021/jm00156a023 Sucrase-isomaltase, intestinal 1

Data from ChEMBL 36 via Core Engine