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Compound Detail

CHEMBL4167563

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CC(=O)Oc1cccc2c1C(=O)C(Br)=CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167563
Phase Preclinical
Structure Type MOL
InChI Key LHTYSNKGPWRIPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.1
MW (Da)
2.27
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7BrO4
MW 295.09
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.96

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 6.07 6.07 850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 850.0 nM 6.07 Antitrypanosomal activity against bloodstream forms of Trypanosoma cruzi Y isola... 28521262

Literature References

PubMed DOI Target Context # Activities
28521262 10.1016/j.ejmech.2017.05.011 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine