TDR Targets

Basic information

Technical information

TDR Targets ID: 1743492
Name: (2R,3R,4R,5R)-5-(2-bromo-5,6-dichlorobenzimid azol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3 -ol
MW: 400.028 | Formula: C12H10BrCl2FN2O3
H donors: 2 H acceptors: 3 LogP: 3.14 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1c(Br)nc2c1cc(Cl)c(c2)Cl
InChi: 1S/C12H10BrCl2FN2O3/c13-12-17-6-1-4(14)5(15)2-7(6)18(12)11-9(16)10(20)8(3-19)21-11/h1-2,8-11,19-20H,3H2/t8-,9-,10-,11-/m1/s1
InChiKey: WEYPXLMGPUDYTO-GWOFURMSSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(2R,3R,4R,5R)-5-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
(2R,3R,4R,5R)-5-(2-bromo-5,6-dichloro-1-benzimidazolyl)-4-fluoro-2-(hydroxymethyl)-3-tetrahydrofuranol
(2R,3R,4R,5R)-5-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-4-fluoro-2-methylol-tetrahydrofuran-3-ol
(2R,3R,4R,5R)-5-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Cell death protein 3 homolog	0.006	0.0027	0.0051
Echinococcus multilocularis	casein kinase ii subunit alpha	0.3555	1	1
Loa Loa (eye worm)	hypothetical protein	0.0793	0.2118	0.2118
Schistosoma mansoni	inhibitor of apoptosis protein	0.0793	0.2118	0.2118
Echinococcus multilocularis	geminin	0.0174	0.0351	0.0325
Brugia malayi	casein kinase II, putaitve	0.0566	0.147	0.1446
Giardia lamblia	Kinase, CMGC CK2	0.3555	1	1
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0793	0.2118	0.2097
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.3555	1	1
Brugia malayi	Csnk2b protein	0.1937	0.5382	0.5369
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0793	0.2118	0.2097
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.1937	0.5382	1
Onchocerca volvulus		0.0793	0.2118	0.3936
Echinococcus multilocularis	tumor protein p63	0.0346	0.0844	0.0819
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1937	0.5382	0.4586
Loa Loa (eye worm)	hypothetical protein	0.006	0.0027	0.0027
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0793	0.2118	0.2097
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Echinococcus granulosus	casein kinase ii subunit beta	0.1937	0.5382	0.5369
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1937	0.5382	0.4586
Trypanosoma cruzi	casein kinase II, putative	0.3555	1	1
Schistosoma mansoni	hypothetical protein	0.006	0.0027	0.0027
Schistosoma mansoni	casein kinase II beta subunit	0.1937	0.5382	0.5382
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Toxoplasma gondii	CMGC kinase, CK2 family	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Echinococcus granulosus	casein kinase ii subunit alpha	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Loa Loa (eye worm)	hypothetical protein	0.0793	0.2118	0.2118
Echinococcus granulosus	tumor protein p63	0.0346	0.0844	0.0819
Echinococcus granulosus	geminin	0.0174	0.0351	0.0325
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Echinococcus multilocularis	casein kinase ii subunit beta	0.1937	0.5382	0.5369
Schistosoma mansoni	caspase-7 (C14 family)	0.006	0.0027	0.0027
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0793	0.2118	0.2097
Schistosoma mansoni	protein kinase	0.3555	1	1
Trypanosoma brucei	Casein kinase II	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0793	0.2118	0.2118
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Loa Loa (eye worm)	hypothetical protein	0.006	0.0027	0.0027
Leishmania major	casein kinase II, putative	0.3555	1	1
Plasmodium falciparum	casein kinase 2, alpha subunit	0.3555	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Schistosoma mansoni	hypothetical protein	0.0793	0.2118	0.2118
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Schistosoma mansoni	hypothetical protein	0.0174	0.0351	0.0351
Schistosoma mansoni	hypothetical protein	0.0174	0.0351	0.0351
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1937	0.5382	0.4586
Loa Loa (eye worm)	casein kinase II	0.0566	0.147	0.147
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Loa Loa (eye worm)	Csnk2b protein	0.1937	0.5382	0.5382
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Plasmodium vivax	unspecified product	0.3555	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Entamoeba histolytica	protein kinase domain containing protein	0.3555	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Echinococcus granulosus	inhibitor of apoptosis protein	0.0793	0.2118	0.2097
Onchocerca volvulus		0.006	0.0027	0.0051
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1937	0.5382	0.4586
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.1937	0.5382	1
Entamoeba histolytica	casein kinase, putative	0.3555	1	1
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.3555	1	1
Giardia lamblia	Casein kinase II beta chain	0.1937	0.5382	0.4586
Onchocerca volvulus	Deterin homolog	0.0793	0.2118	0.3936
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0793	0.2118	0.2097

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 17 uM	Compound was tested for antiviral activity against human cytomegalovirus (HCMV) by plaque reduction assay using HFF cells	ChEMBL.	10882375
IC50 (functional)	= 100 uM	Compound was tested for visual cytotoxicity on human foreskin fibroblasts (HFF) cells	ChEMBL.	10882375

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	10882375

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2367680

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1743492