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Compound Detail

CHEMBL4462834

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O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c3ncccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462834
Phase Preclinical
Structure Type MOL
InChI Key GCJJMHATUMFYCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
2.65
ALogP
6
HBA
2
HBD
122.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O5S
MW 345.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine