Detailed information for compound 1665454

Basic information

Technical information
  • TDR Targets ID: 1665454
  • Name: (2R,3R,4S,5R)-2-(5,6-dichloro-2-methylsulfany lbenzimidazol-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: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)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/t9-,10-,11-,12-/m1/s1
  • InChiKey: ZBNJAYPJNXDFJJ-DDHJBXDOSA-N  

Network

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Synonyms

  • (2R,3R,4S,5R)-2-(5,6-dichloro-2-methylsulfanyl-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2R,3R,4S,5R)-2-[5,6-dichloro-2-(methylthio)-1-benzimidazolyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2R,3R,4S,5R)-2-[5,6-dichloro-2-(methylthio)benzimidazol-1-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2R,3R,4S,5R)-2-(5,6-dichloro-2-methylsulfanyl-benzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • 5,6-Dichloro-2-(methylthio)-1-.beta.-D-ribofuranosylbenzimidazole
  • AIDS-188223
  • AIDS188223

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

Activities

Activity type Activity value Assay description Source Reference
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

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

No literature references available for this target.

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