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Compound Detail

CHEMBL607825

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Cc1cc(C)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607825
Phase Preclinical
Structure Type MOL
InChI Key YIIHPIGMCBQDRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
1.80
ALogP
6
HBA
1
HBD
115.1
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 C12H12N4O4S
MW 308.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.94

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