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

CHEMBL3632713

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(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3632713
Phase Preclinical
Structure Type MOL
InChI Key NOKKEBBBCWDPGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.45
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O5S2
MW 468.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
26363505 10.1016/j.ejmech.2015.08.049 Keap1/Nrf2 1
26363505 10.1016/j.ejmech.2015.08.049 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine