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Compound Detail

CHEMBL3754273

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CC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(N3CCC(O)CC3)c(N3CCC(O)CC3)cc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754273
Phase Preclinical
Structure Type MOL
InChI Key SVWSRTRONCWTDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
1.25
ALogP
7
HBA
2
HBD
117.9
PSA (Ų)
0.39
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 C21H25F3N4O5
MW 470.45
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.31

Literature References

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

Data from ChEMBL 36 via Core Engine