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Compound Detail

CHEMBL4878728

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O=C(NO)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4878728
Phase Preclinical
Structure Type MOL
InChI Key AZGOCPVELWGQTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.67
ALogP
6
HBA
3
HBD
113.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O4S
MW 398.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
33818106 10.1021/acs.jmedchem.0c02094 Keap1/Nrf2 1

Data from ChEMBL 36 via Core Engine