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Compound Detail

CHEMBL3349435

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OC[C@@]1(O)C[C@H](NCc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3349435
Phase Preclinical
Structure Type MOL
InChI Key PFWHDZLKURSKGO-HPCHECBXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.2
MW (Da)
-0.88
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20BrNO5
MW 362.22
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.00

Activity Summary

IC50 2 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL2748
IC50 7.82 7.82 15.0 1
Maltase-glucoamylase
CHEMBL2074
IC50 6.64 6.64 230.0 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