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Compound Detail

CHEMBL370876

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O=C(O)CC1SC(N/N=C/c2ccc([N+](=O)[O-])cc2)=NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370876
Phase Preclinical
Structure Type MOL
InChI Key WXFJOEFIIUKNOS-AWNIVKPZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
0.99
ALogP
7
HBA
2
HBD
134.3
PSA (Ų)
0.47
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 C12H10N4O5S
MW 322.30
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.62

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