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Compound Detail

CHEMBL165969

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CC(=O)Oc1ccccc1C(=O)OCc1no[n+]([O-])c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165969
Phase Preclinical
Structure Type MOL
InChI Key KTBLHWHFINVCFZ-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
0.46
ALogP
8
HBA
0
HBD
129.4
PSA (Ų)
0.45
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 C13H9N3O6
MW 303.23
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.64

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
12593655 10.1021/jm020969t Homo sapiens 8
12593655 10.1021/jm020969t Unchecked 1

Data from ChEMBL 36 via Core Engine