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Compound Detail

CHEMBL4795092

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O=C1C=CC(=NOS(=O)(=O)c2cc(Cl)ccc2Cl)C=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4795092
Phase Preclinical
Structure Type MOL
InChI Key NJGLCKXKWGMBDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.2
MW (Da)
2.75
ALogP
5
HBA
0
HBD
72.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7Cl2NO4S
MW 332.16
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
33135887 10.1021/acs.jmedchem.0c00766 DNA repair protein RAD52 homolog 2

Data from ChEMBL 36 via Core Engine