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Compound Detail

CHEMBL4869188

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CNC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4869188
Phase Preclinical
Structure Type MOL
InChI Key WDOCTVVNWLKHON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
2.91
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.67
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 C20H20N4O3S
MW 396.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.08

Literature References

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

Data from ChEMBL 36 via Core Engine