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

CHEMBL4876179

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\NC(=S)N(CC(=O)O)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4876179
Phase Preclinical
Structure Type MOL
InChI Key ATOXSCAMLJAUNY-POHAHGRESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
0.84
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O4S
MW 292.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34826680 10.1016/j.bmc.2021.116518 Unchecked 1
34826680 10.1016/j.bmc.2021.116518 HepG2 1
34826680 10.1016/j.bmc.2021.116518 HEK293 1

Data from ChEMBL 36 via Core Engine