Detailed information for compound 1385187

Basic information

Technical information
  • TDR Targets ID: 1385187
  • Name: 1-[[6-(1-benzofuran-2-yl)-[1,2,4]triazolo[5,4 -b][1,3,4]thiadiazol-3-yl]methyl]benzimidazol e
  • MW: 372.403 | Formula: C19H12N6OS
  • H donors: 0 H acceptors: 4 LogP: 3.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc2c(c1)n(cn2)Cc1nnc2n1nc(s2)c1cc2c(o1)cccc2
  • InChi: 1S/C19H12N6OS/c1-4-8-15-12(5-1)9-16(26-15)18-23-25-17(21-22-19(25)27-18)10-24-11-20-13-6-2-3-7-14(13)24/h1-9,11H,10H2
  • InChiKey: MOYLTNARYJWBDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[6-(benzofuran-2-yl)-[1,2,4]triazolo[5,4-b][1,3,4]thiadiazol-3-yl]methyl]benzimidazole
  • 1-[[6-(2-benzofuranyl)-[1,2,4]triazolo[5,4-b][1,3,4]thiadiazol-3-yl]methyl]benzimidazole
  • BAS 10124121
  • MLS000042716
  • SMR000047189
  • AO-365/43113361
  • ZINC02433686
  • STK205192

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.0754 0.0754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.0754 0.0754
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.0754 0.1437
Onchocerca volvulus 0.0041 0.0754 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.0796 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.0754 0.1712
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0754 0.1437
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.0754 0.1712
Schistosoma mansoni retinoic acid receptor RXR 0.0157 0.5248 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1842 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Entamoeba histolytica hypothetical protein 0.0042 0.0796 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.0754 0.0754
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.1478 0.1478
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0754 0.0754
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.1478 0.2817
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1661 0.1661
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0754 0.1437
Echinococcus multilocularis thyroid hormone receptor alpha 0.0041 0.0754 0.1712
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.0754 0.0754
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.0754 0.1712
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.1478 0.5
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0754 0.1437
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0796 0.1516
Giardia lamblia Kinase, CMGC MAPK 0.006 0.1478 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1842 0.1842
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1842 1
Brugia malayi hypothetical protein 0.0042 0.0796 0.0796
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.0754 0.0754
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.1478 0.3357
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.1478 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0754 0.1437
Echinococcus granulosus mitogen activated protein kinase 0.006 0.1478 0.2817
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0754 0.1437
Trypanosoma brucei protein kinase, putative 0.006 0.1478 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0754 0.0754
Brugia malayi nuclear hormone receptor 0.0041 0.0754 0.0754
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0754 0.1437
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0754 0.1712
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.0754 0.1437
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1478 0.5
Schistosoma mansoni serine/threonine protein kinase 0.006 0.1478 0.2817
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.0754 0.1712
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0157 0.5248 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.0754 0.0754
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1842 0.3509
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0754 0.0754
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.0754 0.0754
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0754 0.0754
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.0754 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.1478 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.1478 0.3357
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.1478 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1842 0.4182
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.0754 0.1437
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1478 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.1842 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0754 0.0754
Echinococcus granulosus FTZ F1 alpha 0.0041 0.0754 0.1437
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.0754 0.0754
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0796 0.1516
Onchocerca volvulus Bile acid receptor homolog 0.0041 0.0754 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.0754 0.0754
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1478 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0754 0.1437
Entamoeba histolytica hypothetical protein 0.0042 0.0796 0.5
Schistosoma mansoni coup transcription factor 0.0041 0.0754 0.1437
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.0754 0.0754
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0796 0.1807
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0754 0.1437
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.0754 0.0754
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0754 0.1712
Brugia malayi MAP kinase sur-1 0.006 0.1478 0.1478
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0754 0.1437
Entamoeba histolytica hypothetical protein 0.0042 0.0796 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0754 0.1437
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0754 0.1437
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1478 0.5
Brugia malayi nuclear receptor NHR-88 0.0041 0.0754 0.0754
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.0754 0.0754
Loa Loa (eye worm) hypothetical protein 0.0041 0.0754 0.0754
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.1478 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0754 0.0754
Brugia malayi steroid hormone receptor 0.0041 0.0754 0.0754
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1842 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.0754 0.0754
Schistosoma mansoni hypothetical protein 0.0042 0.0796 0.1516
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0754 0.0754
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1842 0.3509
Brugia malayi ecdysteroid receptor 0.0041 0.0754 0.0754
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0135 0.4404 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.0754 0.1712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.0754 0.0754
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.0754 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.0754 0.0754
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.0754 0.1437
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0754 0.1437
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0754 0.1437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.0754 0.0754
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.0754 0.1712
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.1478 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.0754 0.1437
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.0754 0.0754

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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