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Compound Detail

CHEMBL3908348

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NC(=O)NN=C(Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3908348
Phase Preclinical
Structure Type MOL
InChI Key GXNGFFOZGBNYKL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.2
MW (Da)
0.54
ALogP
7
HBA
2
HBD
141.3
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 C11H9F2N7O3
MW 325.24
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.32

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27318979 10.1016/j.ejmech.2016.04.065 NON-PROTEIN TARGET 4
27318979 10.1016/j.ejmech.2016.04.065 Unchecked 1

Data from ChEMBL 36 via Core Engine