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Compound Detail

CHEMBL603160

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CCOC(=O)c1cn(C[C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@@H]32)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603160
Phase Preclinical
Structure Type MOL
InChI Key MHOMPCLEQJHILA-PRULPYPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
0.35
ALogP
9
HBA
0
HBD
93.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N3O6
MW 327.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.16

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-glucosidase MAL12
CHEMBL2932
 IC50 4.82 4.82 15100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-glucosidase MAL12 IC50 = 15100.0 nM 4.82 Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophe... 20170190

Literature References

PubMed DOI Target Context # Activities
20170190 10.1021/jm901265h Alpha-glucosidase MAL12 2

Data from ChEMBL 36 via Core Engine