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Compound Detail

CHEMBL1673314

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O=Cc1ccc(OC(F)F)c(O)c1

Basic Information

ChEMBL ID CHEMBL1673314
Phase Preclinical
Structure Type MOL
InChI Key ZLIKNROJGXXNJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

188.1
MW (Da)
1.81
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.74
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 C8H6F2O3
MW 188.13
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 11000.0 nM 4.96 Antimicrobial activity against Trypanosoma cruzi Y infected in rat L6E9 myoblast... 20625148

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 ADMET 1
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1
20625148 10.1128/aac.00313-10 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine