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Compound Detail

CHEMBL3752960

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CC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(N3CCOCC3)cc2[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752960
Phase Preclinical
Structure Type MOL
InChI Key KQNDUHOSSMZVLR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.3
MW (Da)
1.30
ALogP
5
HBA
0
HBD
83.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13F4N3O4
MW 375.28
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 6400.0 nM 5.19 Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5... 26750255

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