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Compound Detail

CHEMBL517414

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CCOC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)[n+]([O-])c2ccccc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517414
Phase Preclinical
Structure Type MOL
InChI Key ZTXWPNDLMQSXEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
2.85
ALogP
5
HBA
0
HBD
89.4
PSA (Ų)
0.39
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 C18H13F3N2O5
MW 394.31
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
18215443 10.1016/j.ejmech.2007.11.024 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine