Detailed information for compound 1417592

Basic information

Technical information
  • TDR Targets ID: 1417592
  • Name: 6-furan-2-yl-3-(3,4,5-trimethoxyphenyl)-[1,2, 4]triazolo[3,4-b][1,3,4]thiadiazole
  • MW: 358.372 | Formula: C16H14N4O4S
  • H donors: 0 H acceptors: 3 LogP: 2.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1nnc2n1nc(s2)c1ccco1
  • InChi: 1S/C16H14N4O4S/c1-21-11-7-9(8-12(22-2)13(11)23-3)14-17-18-16-20(14)19-15(25-16)10-5-4-6-24-10/h4-8H,1-3H3
  • InChiKey: WNICUXCFYASGBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(2-furyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  • AO-365/43113519
  • STOCK5S-49491
  • MLS000042619
  • SMR000048267
  • ZINC02330466

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens CREB binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum IPR011071,Polysaccharide lyase family 8-like, C-terminal,domain-containing Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum ko:K04498 E1A/CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni CREB-binding protein 2 Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi TAZ zinc finger family protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum Protein cbp-1, putative Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) CBP-B Get druggable targets OG5_129174 All targets in OG5_129174
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
Brugia malayi hypothetical protein 0.0077 0.1782 0.1782
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.01 0.2448 0.3021
Loa Loa (eye worm) hypothetical protein 0.0286 0.7694 0.7694
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.1782 0.5
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0122 0.3074 0.5083
Echinococcus granulosus Smad4 0.0025 0.0316 0.0186
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.1782 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.1782 0.5
Schistosoma mansoni hypothetical protein 0.01 0.2448 0.3928
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.1782 0.5
Brugia malayi MH1 domain containing protein 0.0025 0.0316 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.2407 0.3853
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0316 0.0316
Schistosoma mansoni CREB-binding protein 2 0.0122 0.3074 0.5083
Echinococcus granulosus CREB binding protein 0.0122 0.3074 0.3854
Brugia malayi MH2 domain containing protein 0.0025 0.0316 0.0316
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.01 0.2448 0.2448
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7694 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0583 0.0541
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.2407 0.2967
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0317 0.8582 0.8582
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.2407 0.3853
Echinococcus multilocularis CREB binding protein 0.0084 0.1985 0.2406
Loa Loa (eye worm) CBP-B 0.0085 0.2016 0.2016
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0316 0.0316
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0317 0.8582 0.8582
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.2407 0.2407
Loa Loa (eye worm) latrophilin receptor protein 2 0.01 0.2448 0.2448
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.01 0.2448 0.3021
Echinococcus multilocularis smad 0.0025 0.0316 0.0186
Schistosoma mansoni survival motor neuron protein 0.0058 0.1258 0.1735
Echinococcus multilocularis Smad4 0.0025 0.0316 0.0186
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0583 0.0541
Brugia malayi Calcitonin receptor-like protein seb-1 0.0317 0.8582 0.8582
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.1782 0.5
Brugia malayi hypothetical protein 0.0286 0.7694 0.7694
Loa Loa (eye worm) MH2 domain-containing protein 0.0367 1 1
Schistosoma mansoni hypothetical protein 0.01 0.2448 0.3928
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.4594 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.1782 0.5
Loa Loa (eye worm) hypothetical protein 0.0176 0.4594 0.4594
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7694 1
Brugia malayi N-terminal motif family protein 0.0176 0.4594 0.4594
Echinococcus multilocularis GPCR, family 2 0.01 0.2448 0.3021
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.01 0.2448 0.3021
Brugia malayi MH1 domain containing protein 0.0025 0.0316 0.0316
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0316 0.0186
Loa Loa (eye worm) hypothetical protein 0.01 0.2448 0.2448
Loa Loa (eye worm) hypothetical protein 0.0057 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0217 0.5742 0.5742
Brugia malayi Latrophilin receptor protein 2 0.01 0.2448 0.2448
Echinococcus granulosus CREB binding protein 0.0075 0.1746 0.2088
Brugia malayi Smad1 0.0025 0.0316 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.2407 0.3853
Loa Loa (eye worm) Smad1 0.0025 0.0316 0.0316
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.1782 0.5
Brugia malayi TAZ zinc finger family protein 0.0122 0.3074 0.3074
Schistosoma mansoni hypothetical protein 0.0217 0.5742 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0316 0.0186
Loa Loa (eye worm) hypothetical protein 0.0077 0.1782 0.1782
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.01 0.2448 0.3021
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0316 0.0186
Brugia malayi MH2 domain containing protein 0.0025 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.01 0.2448 0.3928
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.2407 0.2967
Echinococcus granulosus GPCR family 2 0.01 0.2448 0.3021
Schistosoma mansoni hypothetical protein 0.01 0.2448 0.3928
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.2407 0.2967
Leishmania major hypothetical protein, conserved 0.0077 0.1782 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0316 0.0186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.2407 0.2407
Loa Loa (eye worm) transcription factor SMAD2 0.0367 1 1
Schistosoma mansoni hypothetical protein 0.0058 0.1258 0.1735
Loa Loa (eye worm) hypothetical protein 0.0317 0.8582 0.8582
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1258 0.1258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.2407 0.2967
Schistosoma mansoni hypothetical protein 0.0034 0.0583 0.0492
Brugia malayi hypothetical protein 0.005 0.1012 0.1012
Brugia malayi latrophilin 2 splice variant baaae 0.0217 0.5742 0.5742
Echinococcus granulosus smad 0.0025 0.0316 0.0186

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0631 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Cell signaling CRE-BLA (Fsk stim) - HEK293 CREB Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 662 ] ChEMBL. No reference
Potency (functional) 4.1078 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Cell signaling CRE-BLA (Fsk stim). (Class of assay: confirmatory) [Related pubchem assays: 662 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.9349 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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