Detailed information for compound 26447

Basic information

Technical information
  • TDR Targets ID: 26447
  • Name: 2-(5,6-dichloro-2-methylsulfanylbenzimidazol- 1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • MW: 365.232 | Formula: C13H14Cl2N2O4S
  • H donors: 3 H acceptors: 4 LogP: 1.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(C(C1O)O)n1c(SC)nc2c1cc(Cl)c(c2)Cl
  • InChi: 1S/C13H14Cl2N2O4S/c1-22-13-16-7-2-5(14)6(15)3-8(7)17(13)12-11(20)10(19)9(4-18)21-12/h2-3,9-12,18-20H,4H2,1H3
  • InChiKey: ZBNJAYPJNXDFJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(5,6-dichloro-2-methylsulfanyl-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-[5,6-dichloro-2-(methylthio)-1-benzimidazolyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-(5,6-dichloro-2-methylsulfanyl-benzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • 2-[5,6-dichloro-2-(methylthio)benzimidazol-1-yl]-5-methylol-tetrahydrofuran-3,4-diol

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.029 0.028
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0121 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0014 0.0301 0.0301
Toxoplasma gondii hypothetical protein 0.0085 0.6711 0.6609
Trichomonas vaginalis CMGC family protein kinase 0.0121 1 0.5
Echinococcus multilocularis multidrug resistance associated protein 1 0.0014 0.0301 0.0301
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0014 0.0301 0.0301
Giardia lamblia Kinase, CMGC MAPK 0.0121 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0301 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0121 1 1
Giardia lamblia MRP-like ABC transporter 0.0014 0.0301 0.0011
Echinococcus multilocularis mitogen activated protein kinase 3 0.0121 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0121 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0301 0.0291
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0301 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0301 0.0291
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0085 0.6711 0.6707
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0121 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0301 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0121 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0014 0.0301 0.0301
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0301 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0121 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0014 0.0301 0.0301
Schistosoma mansoni serine/threonine protein kinase 0.0121 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0014 0.0301 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.6711 0.6707
Entamoeba histolytica ABC transporter, putative 0.0014 0.0301 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.6711 0.6707
Entamoeba histolytica hypothetical protein 0.0014 0.0301 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.6711 0.6707
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0014 0.0301 0.0291
Giardia lamblia Multidrug resistance-associated protein 1 0.0014 0.0301 0.0011
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0014 0.0301 0.0301
Giardia lamblia ABC transporter, putative 0.0014 0.0301 0.0011
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0121 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0121 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0121 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0121 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0121 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0121 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0014 0.0301 0.0301
Giardia lamblia Multidrug resistance-associated protein 1 0.0014 0.0301 0.0011
Trypanosoma brucei protein kinase, putative 0.0121 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0121 1 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0121 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Activity against human cytomegalovirus (HCMV) using plaque reduction assay ChEMBL. 8071942
IC50 (functional) > 100 uM Tested for the visual cytotoxicity on HFF cells at the time of human cytomegalovirus (HCMV) plaque enumeration ChEMBL. 8071942
IC50 (functional) > 100 uM Antiviral activity assayed by ability to inhibit Towne strain of HCMV virus ChEMBL. 9575044
IC50 (functional) > 100 uM Antiviral activity evaluated by their ability to inhibit the KOS strain of herpes simplex virus type-1(HSV-1).plaque assay was used ChEMBL. 9575044
IC50 (functional) > 100 uM Compound was evaluated for the cytotoxicity scored on HFF cells at time of HCMV plaque enumeration. ChEMBL. 9575044
IC50 (functional) > 100 uM Compound was evaluated for the cytotoxicity by the inhibition of KB cell growth. ChEMBL. 9575044
IC90 (functional) > 100 uM Compound was evaluated for its antibacterial activity against HCMV virus using Yield reduction assay. ChEMBL. 9575044

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Bibliographic References

2 literature references were collected for this gene.

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