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Compound Detail

CHEMBL3632700

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O=C(O)c1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(C(=O)O)c3)c3ccccc23)c1

Basic Information

ChEMBL ID CHEMBL3632700
Phase Preclinical
Structure Type MOL
InChI Key XRIDDHMJUMSHKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.5
MW (Da)
3.84
ALogP
6
HBA
4
HBD
166.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N2O8S2
MW 526.55
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.81

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