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Compound Detail

CHEMBL4859696

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O=S(=O)(Nc1cccc(-n2ncc(C(O)(C(F)(F)F)C(F)(F)F)c2C2CC2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859696
Phase Preclinical
Structure Type MOL
InChI Key QHZAZWCVFGBKFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.4
MW (Da)
4.86
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F6N3O3S
MW 505.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.45

Literature References

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

Data from ChEMBL 36 via Core Engine