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Compound Detail

CHEMBL2133303

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O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2133303
Phase Preclinical
Structure Type MOL
InChI Key OZHNDJFQAQOYJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.44
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.47
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 C22H18N2O4S2
MW 438.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.86

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