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Compound Detail

CHEMBL3632706

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O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3632706
Phase Preclinical
Structure Type MOL
InChI Key FMQJSWLAMMWGAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
4.72
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F2N2O4S2
MW 474.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Keap1/Nrf2
CHEMBL3038498
 IC50 6.18 6.18 660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Keap1/Nrf2 IC50 = 660.0 nM 6.18 Inhibition of Keap1-NRF2 interaction (unknown origin) expressed in Escherichia c... 26363505

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