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Compound Detail

CHEMBL594593

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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594593
Phase Preclinical
Structure Type MOL
InChI Key CZRISBMGZLRLED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.79
ALogP
5
HBA
1
HBD
102.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9N3O4S
MW 279.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.20

Literature References

PubMed DOI Target Context # Activities
19811921 10.1016/j.bmc.2009.09.030 Leishmania infantum 2
19811921 10.1016/j.bmc.2009.09.030 J774 1

Data from ChEMBL 36 via Core Engine