Detailed information for compound 506603

Basic information

Technical information
  • TDR Targets ID: 506603
  • Name: 3-(2,4-dimethoxyphenyl)-6-(2,6-dimethoxypheny l)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin e
  • MW: 412.462 | Formula: C20H20N4O4S
  • H donors: 0 H acceptors: 2 LogP: 3.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)c1nnc2n1N=C(CS2)c1c(OC)cccc1OC
  • InChi: 1S/C20H20N4O4S/c1-25-12-8-9-13(17(10-12)28-4)19-21-22-20-24(19)23-14(11-29-20)18-15(26-2)6-5-7-16(18)27-3/h5-10H,11H2,1-4H3
  • InChiKey: KCKVADBVXGNNTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00165281-01

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
Plasmodium vivax heat shock protein, putative 0.0183 0.3096 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0045 0.0345 0.5
Echinococcus multilocularis smad 0.0035 0.0145 0.0065
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0382 0.0311
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0382 0.0305
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0382 0.0311
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0085 0.1142 0.1071
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Brugia malayi hypothetical protein 0.007 0.0835 0.0777
Entamoeba histolytica heat shock protein 90, putative 0.0048 0.0404 0.1
Loa Loa (eye worm) endoplasmin 0.0048 0.0404 0.0333
Schistosoma mansoni tar DNA-binding protein 0.0202 0.3477 0.3425
Brugia malayi MH2 domain containing protein 0.0518 0.9795 1
Brugia malayi hypothetical protein 0.0108 0.1601 0.1565
Loa Loa (eye worm) RNA binding protein 0.0202 0.3477 0.3497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0382 0.0305
Brugia malayi Isocitrate dehydrogenase 0.0085 0.1142 0.1093
Trypanosoma cruzi PAB1-binding protein , putative 0.0108 0.1601 1
Brugia malayi MH1 domain containing protein 0.0035 0.0145 0.0067
Toxoplasma gondii heat shock protein HSP90 0.0048 0.0404 0.1074
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Schistosoma mansoni smad1 5 8 and 0.0035 0.0145 0.0065
Echinococcus granulosus Smad4 0.0035 0.0145 0.0065
Toxoplasma gondii heat shock protein 90, putative 0.0048 0.0404 0.1074
Echinococcus granulosus endoplasmin 0.0045 0.0345 0.0267
Schistosoma mansoni hypothetical protein 0.0528 1 1
Brugia malayi Endoplasmin precursor 0.0048 0.0404 0.0333
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Echinococcus multilocularis isocitrate dehydrogenase 0.0085 0.1142 0.1071
Trichomonas vaginalis endoplasmin, putative 0.0035 0.0139 0.345
Brugia malayi TAR-binding protein 0.0202 0.3477 0.3497
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0145 0.0065
Plasmodium falciparum ataxin-2 like protein, putative 0.0108 0.1601 0.5171
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Echinococcus granulosus heat shock protein 90 0.0048 0.0404 0.0326
Loa Loa (eye worm) transcription factor SMAD2 0.0518 0.9795 1
Trichomonas vaginalis heat shock protein, putative 0.0041 0.0265 0.655
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0085 0.1142 0.1071
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0085 0.1142 0.6985
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0145 0.0067
Brugia malayi RNA binding protein 0.0202 0.3477 0.3497
Brugia malayi Smad1 0.0035 0.0145 0.0067
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Trypanosoma brucei heat shock protein 90, putative 0.0048 0.0404 0.213
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0194 0.3318 0.3264
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.3477 0.3497
Brugia malayi hypothetical protein 0.0194 0.3318 0.3332
Schistosoma mansoni smad1 5 8 and 0.0035 0.0145 0.0065
Schistosoma mansoni hypothetical protein 0.0194 0.3318 0.3264
Loa Loa (eye worm) hypothetical protein 0.0108 0.1601 0.1565
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0145 0.0065
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0145 0.0065
Echinococcus granulosus smad 0.0035 0.0145 0.0065
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0404 0.213
Trypanosoma brucei Heat shock protein 83, putative 0.0048 0.0404 0.213
Entamoeba histolytica hypothetical protein 0.0194 0.3318 1
Schistosoma mansoni heat shock protein 0.0048 0.0404 0.0326
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0404 0.213
Toxoplasma gondii Hsp90 domain-containing protein 0.0183 0.3096 1
Schistosoma mansoni smad 0.0035 0.0145 0.0065
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0045 0.0345 0.174
Trypanosoma brucei PAB1-binding protein , putative 0.0108 0.1601 1
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.3477 0.3497
Trypanosoma cruzi PAB1-binding protein , putative 0.0108 0.1601 1
Schistosoma mansoni heat shock protein 0.0048 0.0404 0.0326
Schistosoma mansoni hypothetical protein 0.0528 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0382 0.0305
Echinococcus multilocularis heat shock protein 90 0.0041 0.0265 0.0186
Plasmodium vivax heat shock protein 86, putative 0.0048 0.0404 0.1074
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0085 0.1142 0.1071
Schistosoma mansoni endoplasmin 0.0048 0.0404 0.0326
Giardia lamblia Grp94/Hsp90 0.0045 0.0345 0.5748
Leishmania major hypothetical protein, conserved 0.0108 0.1601 1
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Entamoeba histolytica hypothetical protein 0.0194 0.3318 1
Schistosoma mansoni endoplasmin 0.0048 0.0404 0.0326
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0049 0.0409 0.0331
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0085 0.1142 0.6985
Echinococcus granulosus heat shock protein 0.0048 0.0404 0.0326
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0345 0.8533
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0045 0.0345 0.5
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0345 0.8533
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0032 0.008 0.5
Plasmodium falciparum heat shock protein 90 0.0048 0.0404 0.1305
Echinococcus multilocularis Smad4 0.0035 0.0145 0.0065
Trypanosoma brucei heat shock protein 90, putative 0.0048 0.0404 0.213
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0085 0.1142 0.3522
Brugia malayi MH2 domain containing protein 0.0035 0.0145 0.0067
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0085 0.1142 0.1071
Schistosoma mansoni transcription factor LCR-F1 0.0194 0.3318 0.3264
Entamoeba histolytica hypothetical protein 0.0194 0.3318 1
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0139 0.345
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Schistosoma mansoni tar DNA-binding protein 0.0202 0.3477 0.3425
Toxoplasma gondii LsmAD domain-containing protein 0.0108 0.1601 0.5043
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0085 0.1142 0.369
Entamoeba histolytica heat shock protein 90, putative 0.0048 0.0404 0.1
Echinococcus multilocularis tar DNA binding protein 0.0202 0.3477 0.3425
Treponema pallidum heat shock protein 90 0.0045 0.0345 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0145 0.0065
Entamoeba histolytica hypothetical protein 0.0194 0.3318 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0382 0.0305
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Loa Loa (eye worm) isocitrate dehydrogenase 0.0085 0.1142 0.1093
Trypanosoma cruzi heat shock protein 90, putative 0.0048 0.0404 0.213
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0145 0.0065
Loa Loa (eye worm) Smad1 0.0035 0.0145 0.0067
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0085 0.1142 0.6985
Echinococcus multilocularis geminin 0.0528 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0194 0.3318 0.3264
Schistosoma mansoni tar DNA-binding protein 0.0202 0.3477 0.3425
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0085 0.1142 0.1071
Trypanosoma cruzi Heat shock protein 83, putative 0.0048 0.0404 0.213
Loa Loa (eye worm) heat shock protein 90 0.0048 0.0404 0.0333
Schistosoma mansoni tar DNA-binding protein 0.0202 0.3477 0.3425
Schistosoma mansoni smad1 5 8 and 0.0035 0.0145 0.0065
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Echinococcus granulosus tar DNA binding protein 0.0202 0.3477 0.3425
Mycobacterium ulcerans heat shock protein 90 0.0045 0.0345 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0085 0.1142 0.1071
Echinococcus multilocularis heat shock protein 0.0048 0.0404 0.0326
Plasmodium falciparum endoplasmin, putative 0.0035 0.0139 0.045
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0041 0.0265 0.0186
Schistosoma mansoni hypothetical protein 0.0049 0.0409 0.0331
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Plasmodium vivax endoplasmin, putative 0.0048 0.0404 0.1074
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0145 0.0067
Trypanosoma cruzi heat shock protein 85, putative 0.0041 0.0265 0.1213
Echinococcus multilocularis endoplasmin 0.0045 0.0345 0.0267
Giardia lamblia Heat shock protein HSP 90-alpha 0.0048 0.0404 1
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0382 0.0305
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0085 0.1142 0.6985
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0085 0.1142 1
Brugia malayi MH2 domain containing protein 0.0035 0.0145 0.0067
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Brugia malayi heat shock protein 90 0.0048 0.0404 0.0333
Plasmodium falciparum ataxin-2 like protein, putative 0.0108 0.1601 0.5171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0382 0.0305
Echinococcus granulosus heat shock protein 90 0.0041 0.0265 0.0186
Plasmodium vivax ataxin-2 like protein, putative 0.0108 0.1601 0.5043
Trichomonas vaginalis heat shock protein, putative 0.0048 0.0404 1
Loa Loa (eye worm) TAR-binding protein 0.0202 0.3477 0.3497
Brugia malayi isocitrate dehydrogenase 0.0085 0.1142 0.1093
Loa Loa (eye worm) MH2 domain-containing protein 0.0518 0.9795 1
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Toxoplasma gondii isocitrate dehydrogenase 0.0085 0.1142 0.3522
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0049 0.0409 0.0331
Leishmania major heat shock protein 83-1 0.0048 0.0404 0.213
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Echinococcus multilocularis heat shock protein 90 0.0048 0.0404 0.0326
Trypanosoma brucei heat shock protein, putative 0.0048 0.0404 0.213
Toxoplasma gondii isocitrate dehydrogenase 0.0085 0.1142 0.3522
Trypanosoma cruzi heat shock protein 90, putative 0.0041 0.0265 0.1213
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0085 0.1142 0.6985
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0404 0.213
Schistosoma mansoni tar DNA-binding protein 0.0202 0.3477 0.3425
Brugia malayi MH1 domain containing protein 0.0035 0.0145 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0382 0.0305
Schistosoma mansoni Smad4 0.0035 0.0145 0.0065
Plasmodium falciparum heat shock protein 90, putative 0.0183 0.3096 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 20 mM Inhibition of human PDE4A1A by IMAP technology ChEMBL. 18243697
IC50 (binding) > 20 mM Inhibition of human PDE4A1A by IMAP technology ChEMBL. 18243697

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

1 literature reference was collected for this gene.

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