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Compound Detail

CHEMBL3127642

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O=C(O)c1cc2c(-c3cccc(C(F)(F)F)c3)ccc([N+](=O)[O-])c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127642
Phase Preclinical
Structure Type MOL
InChI Key NFLZIPAMVQWBCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.2
MW (Da)
4.46
ALogP
3
HBA
2
HBD
96.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9F3N2O4
MW 350.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
24530031 10.1016/j.bmc.2014.01.047 Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine