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

CHEMBL4868310

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(Cc2c(C(=O)O)cnn2-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4868310
Phase Preclinical
Structure Type MOL
InChI Key MIDOCDUPYJMGLP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
3.97
ALogP
6
HBA
2
HBD
110.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O5S
MW 463.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.48

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
33818106 10.1021/acs.jmedchem.0c02094 Keap1/Nrf2 1

Data from ChEMBL 36 via Core Engine