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Compound Detail

CHEMBL365175

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

Basic Information

ChEMBL ID CHEMBL365175
Phase Preclinical
Structure Type MOL
InChI Key GLPPPSGIOPOESR-KPKJPENVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
1.82
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.28
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 C10H12N4O2S
MW 252.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.81

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 Unchecked 1
15863319 10.1016/j.bmcl.2005.03.048 Toxoplasma gondii 1

Data from ChEMBL 36 via Core Engine