Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL226921

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
FC(F)(F)C(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226921
Phase Preclinical
Structure Type MOL
InChI Key BXWWQZIPFOCLOO-UHFFFAOYSA-N
4
Targets
11
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

551.7
MW (Da)
6.27
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9HBr4F5N2
MW 551.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.14

Activity Summary

IC50 10 meas. best 7.64
Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 7.64 7.64 22.9 4
Unchecked
CHEMBL612545
 Ki 6.7 6.7 200.0 1
Entamoeba histolytica
CHEMBL612853
 IC50 6.67 6.655 213.8 2
Trichomonas vaginalis
CHEMBL612884
 IC50 5.0 5.0 10000.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 22.91 nM 7.64 Antiprotozoal activity against Giardia intestinalis 20888242
Giardia intestinalis IC50 = 22.91 nM 7.64 Antimicrobial activity against Giardia intestinalis -
Giardia intestinalis IC50 = 23.0 nM 7.64 Antimicrobial activity against Giardia intestinalis -
Giardia intestinalis IC50 = 22.91 nM 7.64 Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... 28595066
Unchecked Ki = 200.0 nM 6.7 Inhibition of rat liver Casein kinase 2 19748274
Entamoeba histolytica IC50 = 213.8 nM 6.67 Antiamnesic activity against Entamoeba histolytica 17074492
Entamoeba histolytica IC50 = 229.09 nM 6.64 Antiparasitic activity against trophozoite stage of Entamoeba histolytica HM-1:I... 28595066
Trichomonas vaginalis IC50 = 10000.0 nM 5.0 Antiprotozoal activity against Trichomonas vaginalis 20888242
Trichomonas vaginalis IC50 = 10000.0 nM 5.0 Antimicrobial activity against Trichomonas vaginalis -
Trichomonas vaginalis IC50 = 10100.0 nM 5.0 Antimicrobial activity against Trichomonas vaginalis -
Trichomonas vaginalis IC50 = 10000.0 nM 5.0 Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... 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
19748274 10.1016/j.bmc.2009.08.047 Unchecked 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