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Compound Detail

CHEMBL3632880

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O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3632880
Phase Preclinical
Structure Type MOL
InChI Key SOZPKXNAMRQHOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
5.46
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N2O4S2
MW 506.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.12

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