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Compound Detail

CHEMBL193649

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O=[N+]([O-])c1ccccc1/C=N/N=C(\S)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193649
Phase Preclinical
Structure Type MOL
InChI Key WSAKIIYETTUERT-XNTDXEJSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
3.33
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.30
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 C14H12N4O2S
MW 300.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.74

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15863319 10.1016/j.bmcl.2005.03.048 Vero 2
15863319 10.1016/j.bmcl.2005.03.048 Toxoplasma gondii 2

Data from ChEMBL 36 via Core Engine