Detailed information for compound 887454

Basic information

Technical information
  • TDR Targets ID: 887454
  • Name: 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl -2-methylbenzimidazole
  • MW: 350.82 | Formula: C16H15ClN2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)c(cc1S(=O)(=O)n1c(C)nc2c1cccc2)Cl
  • InChi: 1S/C16H15ClN2O3S/c1-10-8-15(22-3)16(9-12(10)17)23(20,21)19-11(2)18-13-6-4-5-7-14(13)19/h4-9H,1-3H3
  • InChiKey: VLPIILREXOZNOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-chloro-2-methoxy-4-methyl-phenyl)sulfonyl-2-methyl-benzimidazole
  • ZINC07616253

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
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0038 0.0345 0.0211
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0089 0.0163
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.065 0.0837
Loa Loa (eye worm) hypothetical protein 0.0021 0.0137 0.0252
Brugia malayi hypothetical protein 0.0462 0.5433 1
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0315 0.3666 0.4128
Chlamydia trachomatis dihydrofolate reductase 0.0211 0.2416 0.5
Echinococcus granulosus ankyrin repeat protein 0.0315 0.3666 0.3578
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.065 0.052
Mycobacterium ulcerans thymidylate synthase 0.0105 0.1148 0.4554
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0212 0.2431 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0211 0.2416 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0137 0.0252
Brugia malayi Sodium:solute symporter family protein 0.0038 0.0345 0.048
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0218 0.0401
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0038 0.0345 0.0211
Echinococcus granulosus sodium:glucose cotransporter 0.0038 0.0345 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0489 0.5
Echinococcus granulosus dihydrofolate reductase 0.0211 0.2416 0.2311
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0211 0.2416 1
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.065 0.1464
Loa Loa (eye worm) kinesin-like protein KLP2 0.011 0.1204 0.2216
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0489 0.1709
Echinococcus multilocularis dihydrofolate reductase 0.0211 0.2416 0.2311
Echinococcus multilocularis transient receptor potential cation channel 0.0318 0.3708 0.362
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0212 0.2431 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0105 0.1148 0.3423
Toxoplasma gondii kinesin motor domain-containing protein 0.011 0.1204 0.4117
Schistosoma mansoni hypothetical protein 0.0734 0.8687 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.065 0.2413
Onchocerca volvulus 0.0105 0.1148 0.191
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0038 0.0345 0.0211
Echinococcus multilocularis Protein lozenge 0.0058 0.0586 0.0455
Echinococcus multilocularis ankyrin repeat protein 0.0315 0.3666 0.3578
Brugia malayi Cytochrome P450 family protein 0.0027 0.0218 0.0242
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0089 0.0163
Brugia malayi Kinesin motor domain containing protein 0.011 0.1204 0.2087
Entamoeba histolytica kinesin, putative 0.011 0.1204 0.5
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0211 0.2416 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0212 0.2431 1
Schistosoma mansoni inositol transporter 0.0038 0.0345 0.0243
Echinococcus multilocularis thymidylate synthase 0.0105 0.1148 0.1025
Schistosoma mansoni lozenge 0.0058 0.0586 0.0525
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0089 0.0163
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.065 0.06
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0038 0.0345 0.0211
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0105 0.1148 0.1183
Brugia malayi dihydrofolate reductase family protein 0.0211 0.2416 0.4355
Loa Loa (eye worm) dihydrofolate reductase 0.0211 0.2416 0.4447
Schistosoma mansoni sodium/solute symporter 0.0038 0.0345 0.0243
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.065 0.06
Echinococcus granulosus sodium:glucose cotransporter 2 0.0038 0.0345 0.0211
Brugia malayi GH02984p 0.0038 0.0345 0.048
Loa Loa (eye worm) hypothetical protein 0.0462 0.5433 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0212 0.2431 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0212 0.2431 1
Schistosoma mansoni high-affinity choline transporter 0.0038 0.0345 0.0243
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.0581 0.045
Loa Loa (eye worm) runx1 0.0058 0.0586 0.1078
Brugia malayi hypothetical protein 0.005 0.0489 0.0749
Echinococcus granulosus high affinity choline transporter 1 0.0038 0.0345 0.0211
Echinococcus multilocularis solute carrier family 5 0.0038 0.0345 0.0211
Echinococcus granulosus thymidylate synthase 0.0105 0.1148 0.1025
Loa Loa (eye worm) hypothetical protein 0.0038 0.0345 0.0635
Plasmodium falciparum kinesin-5 0.011 0.1204 0.465
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.065 0.2413
Echinococcus granulosus solute carrier family 5 0.0038 0.0345 0.0211
Giardia lamblia Kinesin-5 0.011 0.1204 0.5
Brugia malayi hypothetical protein 0.0021 0.0137 0.0091
Echinococcus multilocularis high affinity choline transporter 1 0.0038 0.0345 0.0211
Brugia malayi hypothetical protein 0.0021 0.0137 0.0091
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.0581 0.045
Onchocerca volvulus 0.0038 0.0345 0.0392
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0212 0.2431 1
Loa Loa (eye worm) thymidylate synthase 0.0105 0.1148 0.2114
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.065 0.052
Echinococcus granulosus sodium:myo inositol cotransporter 0.0038 0.0345 0.0211
Echinococcus multilocularis kinesin family 1 0.0843 1 1
Schistosoma mansoni lipoxygenase 0.0058 0.0581 0.0519
Schistosoma mansoni dihydrofolate reductase 0.0211 0.2416 0.2666
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.065 0.2398
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0137 0.0252
Plasmodium vivax kinesin-5 0.011 0.1204 0.465
Echinococcus granulosus transient receptor potential cation channel 0.0318 0.3705 0.3617
Schistosoma mansoni inositol transporter 0.0038 0.0345 0.0243
Brugia malayi Dihydrofolate reductase 0.0211 0.2416 0.4355
Brugia malayi Doublecortin family protein 0.0021 0.0137 0.0091
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.065 0.2413
Loa Loa (eye worm) hypothetical protein 0.0038 0.0345 0.0635
Onchocerca volvulus 0.0462 0.5433 1
Schistosoma mansoni kinesin eg-5 0.011 0.1204 0.1248
Loa Loa (eye worm) hypothetical protein 0.0462 0.5433 1
Brugia malayi thymidylate synthase 0.0105 0.1148 0.1983

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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