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Compound Detail

CHEMBL194123

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CN1C(=O)C(CC(=O)O)S/C1=N\N=C\c1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194123
Phase Preclinical
Structure Type MOL
InChI Key INGDSJDYPBAOEQ-KBZMRXAVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
1.33
ALogP
7
HBA
1
HBD
125.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O5S
MW 336.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.41

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