Detailed information for compound 875278

Basic information

Technical information
  • TDR Targets ID: 875278
  • Name: N-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,5-d] [1,3,4]thiadiazol-6-yl]butanamide
  • MW: 317.366 | Formula: C14H15N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)Nc1nn2c(s1)nnc2c1cccc(c1)OC
  • InChi: 1S/C14H15N5O2S/c1-3-5-11(20)15-13-18-19-12(16-17-14(19)22-13)9-6-4-7-10(8-9)21-2/h4,6-8H,3,5H2,1-2H3,(H,15,18,20)
  • InChiKey: LQRGCPLFGFQELV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,5-d][1,3,4]thiadiazol-6-yl]butyramide

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
Loa Loa (eye worm) tubulin beta chain 0.0062 0.1356 0.1356
Loa Loa (eye worm) tubulin beta-1 chain 0.0262 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0262 1 1
Schistosoma mansoni tubulin subunit alpha 0.0198 0.7246 0.7155
Giardia lamblia Gamma tubulin 0.0142 0.4821 0.4008
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0321 0.0321
Trichomonas vaginalis tubulin, putative 0.008 0.2162 0.0932
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Schistosoma mansoni alpha tubulin 0.0198 0.7246 0.7155
Trichomonas vaginalis tubulin beta chain, putative 0.0262 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0321 0.0321
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Echinococcus multilocularis tubulin beta 1 chain 0.0262 1 1
Leishmania major beta tubulin 0.0262 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0142 0.4821 0.4008
Brugia malayi Tubulin beta chain 0.008 0.2162 0.2032
Echinococcus granulosus Tubulin alpha 1 chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin epsilon chain, putative 0.0262 1 1
Leishmania major beta tubulin 0.0262 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0034 0.0162 0.0162
Treponema pallidum cell division protein FtsZ 0.0062 0.1356 0.5
Echinococcus granulosus Tubulin alpha 1 chain 0.0198 0.7246 0.7246
Echinococcus granulosus tubulin beta 4A class IVa 0.0262 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0198 0.7246 0.6814
Loa Loa (eye worm) hypothetical protein 0.0118 0.3781 0.3781
Loa Loa (eye worm) BEN-1 protein 0.0262 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0198 0.7246 0.7246
Echinococcus granulosus tubulin alpha 1C chain 0.0198 0.7246 0.7246
Trypanosoma brucei beta tubulin 0.0262 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.008 0.2162 0.0932
Leishmania major beta tubulin 0.0262 1 1
Echinococcus granulosus tubulin subunit TubB 0.0198 0.7246 0.7246
Loa Loa (eye worm) TK protein kinase 0.0034 0.0162 0.0162
Echinococcus granulosus beta tubulin 0.0262 1 1
Plasmodium vivax tubulin beta chain, putative 0.0262 1 1
Loa Loa (eye worm) SRC-1 0.0038 0.0321 0.0321
Echinococcus multilocularis tubulin alpha chain 0.0198 0.7246 0.7246
Schistosoma mansoni tubulin subunit gamma 0.0142 0.4821 0.4649
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0038 0.0321 0.0321
Toxoplasma gondii beta-1 tubulin, putative 0.0262 1 1
Brugia malayi tubulin alpha chain - mouse 0.0198 0.7246 0.72
Trypanosoma brucei beta tubulin 0.0262 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0198 0.7246 0.7246
Echinococcus multilocularis tubulin alpha 0.0142 0.4821 0.4821
Echinococcus granulosus Tubulin beta 2C chain 0.0262 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0198 0.7246 0.6814
Schistosoma mansoni alpha tubulin 0.0198 0.7246 0.7155
Toxoplasma gondii beta tubulin 0.0262 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0038 0.0321 0.0321
Brugia malayi beta-tubulin, identical 0.0262 1 1
Entamoeba histolytica tubulin gamma chain 0.0142 0.4821 0.4821
Plasmodium vivax tubulin gamma chain, putative 0.0142 0.4821 0.4008
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0162 0.0162
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0137 0.4587 0.3738
Echinococcus granulosus tubulin alpha 1C chain 0.0198 0.7246 0.7246
Echinococcus multilocularis tubulin alpha chain 0.0198 0.7246 0.7246
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0321 0.0321
Trypanosoma brucei beta tubulin 0.0262 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0262 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0198 0.7246 0.6814
Leishmania major beta tubulin 0.0262 1 1
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Trichomonas vaginalis tubulin beta chain, putative 0.0198 0.7246 0.6814
Echinococcus multilocularis Tubulin beta 2C chain 0.0262 1 1
Echinococcus multilocularis tubulin alpha chain 0.0198 0.7246 0.7246
Echinococcus granulosus Tubulin beta 2C chain 0.0262 1 1
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Echinococcus granulosus tyrosine kinase 0.0034 0.0162 0.0162
Brugia malayi alpha-tubulin 0.0198 0.7246 0.72
Mycobacterium ulcerans cell division protein FtsZ 0.0062 0.1356 0.5
Mycobacterium leprae cell division protein FtsZ 0.0062 0.1356 0.5
Brugia malayi Tubulin alpha chain 0.0198 0.7246 0.72
Trichomonas vaginalis tubulin gamma chain, putative 0.0262 1 1
Trypanosoma cruzi beta tubulin, putative 0.0262 1 1
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Leishmania major beta tubulin 0.0262 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0262 1 1
Schistosoma mansoni tubulin subunit alpha 0.0198 0.7246 0.7155
Echinococcus multilocularis tubulin alpha chain 0.0198 0.7246 0.7246
Echinococcus granulosus tubulin beta 1 chain 0.0262 1 1
Schistosoma mansoni tubulin subunit beta 0.0262 1 1
Brugia malayi Tubulin beta chain 0.0062 0.1356 0.1213
Trichomonas vaginalis tubulin alpha chain, putative 0.008 0.2162 0.0932
Trichomonas vaginalis tubulin, putative 0.0262 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin beta chain, putative 0.0198 0.7246 0.6814
Echinococcus granulosus peroxisome assembly protein 26 0.0198 0.7246 0.7246
Leishmania major beta tubulin 0.0262 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0321 0.0321
Echinococcus granulosus Tubulin alpha 1 chain 0.0198 0.7246 0.7246
Echinococcus granulosus tubulin gamma 1 chain 0.0142 0.4821 0.4821
Leishmania major beta tubulin 0.0262 1 1
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Trypanosoma brucei beta tubulin 0.0142 0.4821 0.4008
Plasmodium vivax tubulin epsilon chain, putative 0.0142 0.4821 0.4008
Trypanosoma brucei epsilon tubulin 0.0142 0.4821 0.4008
Brugia malayi Tubulin alpha-2 chain 0.0198 0.7246 0.72
Leishmania major beta tubulin 0.0262 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0062 0.1356 0.5
Echinococcus granulosus tubulin alpha 3 chain 0.0198 0.7246 0.7246
Echinococcus multilocularis Tubulin beta 2C chain 0.0262 1 1
Onchocerca volvulus 0.008 0.2162 0.5
Trypanosoma brucei epsilon tubulin 0.0142 0.4821 0.4008
Plasmodium falciparum tubulin gamma chain 0.0142 0.4821 0.4008
Leishmania major gamma-tubulin 0.0142 0.4821 0.4008
Leishmania major beta tubulin 0.0262 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0198 0.7246 0.6814
Trypanosoma cruzi epsilon tubulin, putative 0.0142 0.4821 0.4008
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0038 0.0321 0.0321
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0038 0.0321 0.0321
Echinococcus granulosus tyrosine protein kinase Src64B 0.0038 0.0321 0.0321
Leishmania major beta tubulin 0.0262 1 1
Brugia malayi Tubulin alpha-2 chain 0.0198 0.7246 0.72
Echinococcus granulosus tubulin alpha 0.0142 0.4821 0.4821
Echinococcus multilocularis Tubulin alpha 1 chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin epsilon chain, putative 0.0198 0.7246 0.6814
Brugia malayi Cell division protein ftsZ 0.0062 0.1356 0.1213
Loa Loa (eye worm) tubulin alpha chain 0.0198 0.7246 0.7246
Echinococcus multilocularis tubulin alpha chain 0.0198 0.7246 0.7246
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0321 0.0321
Echinococcus multilocularis tubulin alpha 1C chain 0.0198 0.7246 0.7246
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Schistosoma mansoni tubulin subunit alpha 0.0198 0.7246 0.7155
Entamoeba histolytica tubulin family protein 0.0262 1 1
Giardia lamblia Beta tubulin 0.0262 1 1
Trypanosoma cruzi tubulin gamma chain 0.0142 0.4821 0.4008
Trypanosoma cruzi epsilon tubulin, putative 0.0142 0.4821 0.4008
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Giardia lamblia Alpha-tubulin 0.0198 0.7246 0.6814
Leishmania major beta tubulin 0.0262 1 1
Trypanosoma brucei alpha tubulin 0.0198 0.7246 0.6814
Echinococcus multilocularis beta tubulin 0.0262 1 1
Loa Loa (eye worm) alpha-tubulin 0.0198 0.7246 0.7246
Echinococcus multilocularis peroxisome assembly protein 26 0.0198 0.7246 0.7246
Echinococcus multilocularis tubulin subunit TubB 0.0198 0.7246 0.7246
Loa Loa (eye worm) tubulin alpha-3 chain 0.0118 0.3781 0.3781
Echinococcus multilocularis hypothetical protein 0.0198 0.7246 0.7246
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0038 0.0321 0.0321
Echinococcus multilocularis tubulin alpha 3 chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin beta chain, putative 0.0198 0.7246 0.6814
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Leishmania major beta tubulin 0.0262 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0262 1 1
Trypanosoma brucei alpha tubulin, putative 0.008 0.2162 0.0932
Echinococcus multilocularis tubulin epsilon chain 0.0142 0.4821 0.4821
Toxoplasma gondii alpha tubulin TUBA1 0.0198 0.7246 0.6814
Echinococcus granulosus beta tubulin 0.0262 1 1
Brugia malayi Tubulin gamma chain 0.0142 0.4821 0.4735
Trypanosoma brucei alpha tubulin 0.0198 0.7246 0.6814
Schistosoma mansoni tubulin subunit delta 0.0062 0.1356 0.1069
Schistosoma mansoni tubulin subunit epsilon 0.0142 0.4821 0.4649
Trypanosoma brucei epsilon tubulin 0.0142 0.4821 0.4008
Brugia malayi SRC-1 0.0038 0.0321 0.0161
Echinococcus multilocularis Tubulin beta 2C chain 0.0262 1 1
Schistosoma mansoni tubulin subunit beta 0.0262 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0262 1 1
Echinococcus multilocularis tubulin delta chain 0.0062 0.1356 0.1356
Loa Loa (eye worm) tubulin alpha 2 0.0056 0.1122 0.1122
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0321 0.0321
Echinococcus granulosus tubulin alpha 3 chain 0.0198 0.7246 0.7246
Loa Loa (eye worm) tubulin alpha 2 0.0137 0.4587 0.4587
Loa Loa (eye worm) tubulin alpha chain 0.0198 0.7246 0.7246
Echinococcus granulosus tubulin alpha chain 0.0198 0.7246 0.7246
Entamoeba histolytica tubulin family protein 0.0262 1 1
Schistosoma mansoni alpha tubulin 0.0198 0.7246 0.7155
Loa Loa (eye worm) tubulin beta chain 0.0262 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0198 0.7246 0.7246
Echinococcus granulosus tubulin subunit beta 0.0262 1 1
Toxoplasma gondii beta-tubulin, putative 0.0262 1 1
Echinococcus granulosus alpha tubulin 0.0198 0.7246 0.7246
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0034 0.0162 0.0162
Trichomonas vaginalis tubulin gamma chain, putative 0.0142 0.4821 0.4008
Plasmodium vivax tubulin alpha chain, putative 0.0198 0.7246 0.6814
Echinococcus granulosus tubulin alpha chain 0.0198 0.7246 0.7246
Leishmania major beta tubulin 0.0262 1 1
Echinococcus granulosus tubulin alpha chain 0.0198 0.7246 0.7246
Loa Loa (eye worm) beta-tubulin 0.0262 1 1
Schistosoma mansoni tubulin subunit beta 0.0262 1 1
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Trypanosoma cruzi alpha tubulin, putative 0.0198 0.7246 0.6814
Leishmania major epsilon tubulin, putative 0.0142 0.4821 0.4008
Mycobacterium tuberculosis Cell division protein FtsZ 0.0062 0.1356 0.5
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Trichomonas vaginalis tubulin epsilon chain, putative 0.0262 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0137 0.4587 0.4587
Echinococcus granulosus Tubulin beta 2C chain 0.0262 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0038 0.0321 0.0321
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0038 0.0321 0.0321
Echinococcus granulosus tubulin alpha chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0118 0.3781 0.2805
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0142 0.4821 0.4008
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0137 0.4587 0.4587
Echinococcus multilocularis tubulin gamma 1 chain 0.0142 0.4821 0.4821
Echinococcus granulosus tyrosine protein kinase Src42A 0.0033 0.0117 0.0117
Trichomonas vaginalis tubulin alpha chain, putative 0.0142 0.4821 0.4008
Schistosoma mansoni tubulin subunit beta 0.0262 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0262 1 1
Plasmodium falciparum alpha tubulin 2 0.0198 0.7246 0.6814
Giardia lamblia Beta tubulin 0.0262 1 1
Leishmania major beta tubulin 0.0262 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0262 1 1
Echinococcus granulosus tubulin alpha chain 0.0198 0.7246 0.7246
Leishmania major beta tubulin 0.0262 1 1
Trypanosoma brucei tubulin gamma chain 0.0142 0.4821 0.4008
Schistosoma mansoni tubulin subunit alpha 0.0062 0.1356 0.1069
Brugia malayi tubulin alpha-2 chain 0.0198 0.7246 0.72
Trypanosoma brucei alpha tubulin 0.0198 0.7246 0.6814
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.0321 0.0321
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.008 0.2162 0.0932
Echinococcus granulosus tubulin epsilon chain 0.0142 0.4821 0.4821
Leishmania major beta tubulin 0.0262 1 1
Leishmania major alpha tubulin 0.0198 0.7246 0.6814
Echinococcus granulosus Tubulin beta 2C chain 0.0262 1 1
Trypanosoma brucei alpha tubulin 0.0198 0.7246 0.6814
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0033 0.0117 0.0117
Giardia lamblia Beta tubulin 0.0262 1 1
Echinococcus multilocularis tubulin subunit beta 0.0262 1 1
Echinococcus granulosus tubulin delta chain 0.0062 0.1356 0.1356
Trichomonas vaginalis tubulin, putative 0.008 0.2162 0.0932
Trichomonas vaginalis tubulin gamma chain, putative 0.0142 0.4821 0.4008
Loa Loa (eye worm) BEN-1 protein 0.0262 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0198 0.7246 0.7246
Plasmodium falciparum alpha tubulin 1 0.0198 0.7246 0.6814
Brugia malayi Tubulin alpha chain 0.0062 0.1356 0.1213
Echinococcus granulosus tyrosine protein kinase Lyn 0.0038 0.0321 0.0321
Echinococcus multilocularis beta tubulin 0.0262 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0034 0.0162 0.0162
Loa Loa (eye worm) alpha-tubulin 0.0198 0.7246 0.7246
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0321 0.0321
Echinococcus multilocularis tyrosine protein kinase Blk 0.0034 0.0162 0.0162
Trichomonas vaginalis tubulin beta chain, putative 0.0198 0.7246 0.6814
Loa Loa (eye worm) tubulin gamma chain 0.0142 0.4821 0.4821
Leishmania major beta tubulin 0.0262 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0198 0.7246 0.6814
Leishmania major beta tubulin 0.0262 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.7246 0.7246
Plasmodium falciparum tubulin beta chain 0.0262 1 1
Schistosoma mansoni tubulin subunit beta 0.0062 0.1356 0.1069
Trichomonas vaginalis tubulin beta chain, putative 0.008 0.2162 0.0932
Echinococcus multilocularis Tubulin alpha 1 chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin epsilon chain, putative 0.0198 0.7246 0.6814
Giardia lamblia Alpha-tubulin 0.0198 0.7246 0.6814
Entamoeba histolytica tubulin alpha-1 chain 0.0198 0.7246 0.7246
Trichomonas vaginalis tubulin alpha chain, putative 0.008 0.2162 0.0932
Schistosoma mansoni tubulin subunit beta 0.0262 1 1
Trypanosoma brucei beta tubulin 0.0262 1 1
Schistosoma mansoni tubulin subunit beta 0.0262 1 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.4587 0.4587

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.
 
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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