Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5570268

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5570268
Phase Preclinical
Structure Type MOL
InChI Key CDANYMVAQNBIIW-YBEGLDIGSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.84
ALogP
6
HBA
0
HBD
89.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O5S
MW 370.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.85

Activity Summary

IC50 4 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-glucosidase
CHEMBL5291954
 IC50 4.24 4.24 57100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-glucosidase IC50 = 57100.0 nM 4.24 Inhibition of yeast Alpha glucosidase 4-nitrophenyl-alpha-D-glucopyranoside incu... 38252989

Literature References

PubMed DOI Target Context # Activities
38252989 10.1016/j.ejmech.2024.116139 PANC-1 2
38252989 10.1016/j.ejmech.2024.116139 Alpha-glucosidase 1
38252989 10.1016/j.ejmech.2024.116139 Alpha-amylase 1
38252989 10.1016/j.ejmech.2024.116139 No relevant target 1

Data from ChEMBL 36 via Core Engine