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Compound Detail

CHEMBL3753686

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CCOC(=O)c1c(C(F)(F)F)nc2cc(Cl)c(N3CCOCC3)cc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753686
Phase Preclinical
Structure Type MOL
InChI Key XHXJJMHOJGCMNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.8
MW (Da)
2.55
ALogP
6
HBA
0
HBD
78.6
PSA (Ų)
0.44
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 C16H15ClF3N3O4
MW 405.76
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
26750255 10.1016/j.bmcl.2015.12.070 Trypanosoma cruzi 2
27025343 10.1016/j.bmcl.2016.03.066 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine