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Compound Detail

CHEMBL389272

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FC(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389272
Phase Preclinical
Structure Type MOL
InChI Key JLNGJAVPDRIMBL-UHFFFAOYSA-N
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

343.9
MW (Da)
4.11
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H3Br2F3N2
MW 343.93
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.03

Activity Summary

IC50 10 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 6.92 6.92 120.0 4
Trichomonas vaginalis
CHEMBL612884
 IC50 6.66 6.66 218.8 4
Entamoeba histolytica
CHEMBL612853
 IC50 6.37 6.365 426.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 120.23 nM 6.92 Antiprotozoal activity against Giardia intestinalis 20888242
Giardia intestinalis IC50 = 120.23 nM 6.92 Antimicrobial activity against Giardia intestinalis -
Giardia intestinalis IC50 = 120.0 nM 6.92 Antimicrobial activity against Giardia intestinalis -
Giardia intestinalis IC50 = 120.23 nM 6.92 Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... 28595066
Trichomonas vaginalis IC50 = 218.78 nM 6.66 Antiprotozoal activity against Trichomonas vaginalis 20888242
Trichomonas vaginalis IC50 = 218.78 nM 6.66 Antimicrobial activity against Trichomonas vaginalis -
Trichomonas vaginalis IC50 = 220.0 nM 6.66 Antimicrobial activity against Trichomonas vaginalis -
Trichomonas vaginalis IC50 = 218.78 nM 6.66 Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... 28595066
Entamoeba histolytica IC50 = 426.58 nM 6.37 Antiamnesic activity against Entamoeba histolytica 17074492
Entamoeba histolytica IC50 = 436.52 nM 6.36 Antiparasitic activity against trophozoite stage of Entamoeba histolytica HM-1:I... 28595066

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C0MD00159G Trichomonas vaginalis 2
- 10.1039/C0MD00159G Giardia intestinalis 2
17074492 10.1016/j.bmc.2006.10.019 Entamoeba histolytica 1
20888242 10.1016/j.bmc.2010.09.019 Trichomonas vaginalis 1
20888242 10.1016/j.bmc.2010.09.019 Giardia intestinalis 1
28595066 10.1016/j.ejmech.2017.05.058 Giardia intestinalis 1
28595066 10.1016/j.ejmech.2017.05.058 Entamoeba histolytica 1
28595066 10.1016/j.ejmech.2017.05.058 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine