Detailed information for compound 1722372

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.362 | Formula: C15H14N4O2S
  • H donors: 2 H acceptors: 2 LogP: 1.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cnc2n(c1=O)cccc2)NCCc1cccs1
  • InChi: 1S/C15H14N4O2S/c20-14-12(10-17-13-5-1-2-8-19(13)14)18-15(21)16-7-6-11-4-3-9-22-11/h1-5,8-10H,6-7H2,(H2,16,18,21)
  • InChiKey: LOLPXIPRRBAXJF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis tubulin epsilon chain, putative 0.0565 0.7058 0.7396
Schistosoma mansoni ets-related 0.0215 0.2603 0.2731
Loa Loa (eye worm) tubulin alpha-2 chain 0.0565 0.7058 0.7406
Echinococcus multilocularis tubulin alpha 3 chain 0.0565 0.7058 0.7058
Giardia lamblia Beta tubulin 0.0759 0.953 1
Brugia malayi Tubulin alpha-2 chain 0.0565 0.7058 0.7406
Echinococcus granulosus Tubulin beta 2C chain 0.0759 0.953 1
Schistosoma mansoni tubulin subunit beta 0.0759 0.953 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0759 0.953 0.953
Brugia malayi follicle stimulating hormone receptor 0.023 0.2796 0.2934
Brugia malayi Tubulin gamma chain 0.0407 0.5054 0.5304
Loa Loa (eye worm) hypothetical protein 0.0334 0.4124 0.4328
Trypanosoma cruzi beta tubulin, putative 0.0759 0.953 1
Echinococcus multilocularis tumor protein p63 0.0361 0.4458 0.4458
Toxoplasma gondii beta-tubulin, putative 0.0759 0.953 1
Trichomonas vaginalis tubulin, putative 0.023 0.2803 0.2914
Echinococcus granulosus tubulin alpha 1C chain 0.0565 0.7058 0.7406
Echinococcus granulosus Tubulin beta 2C chain 0.0759 0.953 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0759 0.953 1
Brugia malayi Tubulin beta-1 chain 0.0759 0.953 1
Leishmania major beta tubulin 0.0759 0.953 1
Echinococcus multilocularis tubulin alpha chain 0.0565 0.7058 0.7058
Plasmodium falciparum alpha tubulin 1 0.0565 0.7058 0.7388
Trichomonas vaginalis tubulin epsilon chain, putative 0.0759 0.953 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0407 0.5054 0.5271
Loa Loa (eye worm) alpha-tubulin 0.0565 0.7058 0.7406
Echinococcus granulosus tumor protein p63 0.0361 0.4458 0.4678
Toxoplasma gondii beta-1 tubulin, putative 0.0759 0.953 1
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3096 0.3223
Leishmania major beta tubulin 0.0759 0.953 1
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Leishmania major beta tubulin 0.0759 0.953 1
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Brugia malayi beta-tubulin, identical 0.0759 0.953 1
Toxoplasma gondii alpha-tubulin I, putative 0.0565 0.7058 0.7388
Trichomonas vaginalis tubulin beta chain, putative 0.0565 0.7058 0.7396
Echinococcus multilocularis tubulin alpha chain 0.0565 0.7058 0.7058
Echinococcus multilocularis tubulin epsilon chain 0.0407 0.5054 0.5054
Loa Loa (eye worm) tubulin alpha chain 0.0565 0.7058 0.7406
Loa Loa (eye worm) tubulin beta-1 chain 0.0759 0.953 1
Trichomonas vaginalis tubulin beta chain, putative 0.0565 0.7058 0.7396
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Schistosoma mansoni tubulin subunit alpha 0.0565 0.7058 0.7406
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Entamoeba histolytica tubulin family protein 0.0759 0.953 1
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3096 0.3223
Leishmania major epsilon tubulin, putative 0.0407 0.5054 0.5271
Loa Loa (eye worm) tubulin alpha-3 chain 0.0334 0.4124 0.4328
Giardia lamblia Alpha-tubulin 0.0565 0.7058 0.7379
Trypanosoma brucei beta tubulin 0.0759 0.953 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0253 0.3096 0.3249
Loa Loa (eye worm) tubulin beta chain 0.0759 0.953 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0759 0.953 0.953
Trichomonas vaginalis tubulin beta chain, putative 0.0565 0.7058 0.7396
Schistosoma mansoni tubulin subunit beta 0.0759 0.953 1
Echinococcus granulosus Tubulin beta 2C chain 0.0759 0.953 1
Trichomonas vaginalis tubulin beta chain, putative 0.0565 0.7058 0.7396
Trichomonas vaginalis tubulin beta chain, putative 0.0565 0.7058 0.7396
Plasmodium falciparum alpha tubulin 2 0.0565 0.7058 0.7388
Entamoeba histolytica tubulin alpha-1 chain 0.0565 0.7058 0.7359
Trypanosoma cruzi epsilon tubulin, putative 0.0407 0.5054 0.5271
Loa Loa (eye worm) BEN-1 protein 0.0759 0.953 1
Loa Loa (eye worm) tubulin alpha 2 0.0388 0.4807 0.5044
Loa Loa (eye worm) fli-1 protein 0.0215 0.2603 0.2731
Onchocerca volvulus 0.023 0.2803 0.99
Loa Loa (eye worm) tubulin alpha 2 0.0388 0.4807 0.5044
Echinococcus granulosus tubulin beta 4A class IVa 0.0759 0.953 1
Plasmodium vivax tubulin gamma chain, putative 0.0407 0.5054 0.5271
Entamoeba histolytica tubulin family protein 0.0759 0.953 1
Loa Loa (eye worm) hypothetical protein 0.0388 0.4807 0.5044
Echinococcus granulosus tubulin epsilon chain 0.0407 0.5054 0.5304
Echinococcus granulosus tubulin alpha 1C chain 0.0565 0.7058 0.7406
Echinococcus granulosus tubulin alpha chain 0.0565 0.7058 0.7406
Echinococcus multilocularis tubulin gamma 1 chain 0.0407 0.5054 0.5054
Trypanosoma brucei alpha tubulin 0.0565 0.7058 0.7388
Echinococcus multilocularis Tubulin alpha 1 chain 0.0565 0.7058 0.7058
Trypanosoma brucei alpha tubulin 0.0565 0.7058 0.7388
Echinococcus multilocularis tubulin subunit TubB 0.0565 0.7058 0.7058
Trichomonas vaginalis tubulin beta chain, putative 0.0565 0.7058 0.7396
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Trichomonas vaginalis tubulin alpha chain, putative 0.023 0.2803 0.2914
Echinococcus granulosus survival motor neuron protein 1 0.0258 0.3148 0.3303
Echinococcus multilocularis tubulin alpha 1C chain 0.0565 0.7058 0.7058
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3096 0.3223
Echinococcus granulosus tubulin alpha 0.0407 0.5054 0.5304
Schistosoma mansoni tubulin subunit beta 0.0759 0.953 1
Echinococcus multilocularis tubulin beta 1 chain 0.0759 0.953 0.953
Plasmodium vivax tubulin epsilon chain, putative 0.0407 0.5054 0.5271
Leishmania major beta tubulin 0.0759 0.953 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0565 0.7058 0.7058
Echinococcus multilocularis Tubulin beta 2C chain 0.0759 0.953 0.953
Schistosoma mansoni hypothetical protein 0.0697 0.8743 0.9175
Trypanosoma brucei alpha tubulin 0.0565 0.7058 0.7388
Brugia malayi acetyltransferase, GNAT family protein 0.0301 0.3699 0.3882
Loa Loa (eye worm) hypothetical protein 0.0565 0.7058 0.7406
Trichomonas vaginalis tubulin gamma chain, putative 0.0407 0.5054 0.5285
Echinococcus granulosus microtubule associated protein 2 0.0752 0.9436 0.9902
Echinococcus multilocularis hypothetical protein 0.0565 0.7058 0.7058
Echinococcus multilocularis tubulin alpha chain 0.0565 0.7058 0.7058
Trichomonas vaginalis tubulin alpha chain, putative 0.023 0.2803 0.2914
Echinococcus multilocularis geminin 0.0697 0.8743 0.8743
Echinococcus granulosus tubulin alpha chain 0.0565 0.7058 0.7406
Giardia lamblia Beta tubulin 0.0759 0.953 1
Leishmania major beta tubulin 0.0759 0.953 1
Echinococcus granulosus geminin 0.0697 0.8743 0.9175
Leishmania major beta tubulin 0.0759 0.953 1
Loa Loa (eye worm) tubulin alpha chain 0.0565 0.7058 0.7406
Entamoeba histolytica tubulin gamma chain 0.0407 0.5054 0.5218
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0476 0.5932 1
Leishmania major beta tubulin 0.0759 0.953 1
Brugia malayi Tubulin alpha-2 chain 0.0565 0.7058 0.7406
Echinococcus granulosus peroxisome assembly protein 26 0.0565 0.7058 0.7406
Schistosoma mansoni alpha tubulin 0.0565 0.7058 0.7406
Plasmodium vivax tubulin alpha chain, putative 0.0565 0.7058 0.7388
Trypanosoma brucei epsilon tubulin 0.0407 0.5054 0.5271
Schistosoma mansoni tubulin subunit beta 0.0759 0.953 1
Echinococcus multilocularis microtubule associated protein 2 0.0752 0.9436 0.9436
Echinococcus multilocularis beta tubulin 0.0759 0.953 0.953
Trypanosoma cruzi tubulin gamma chain 0.0407 0.5054 0.5271
Trichomonas vaginalis tubulin beta chain, putative 0.023 0.2803 0.2914
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Echinococcus granulosus Tubulin alpha 1 chain 0.0565 0.7058 0.7406
Schistosoma mansoni tubulin subunit alpha 0.0565 0.7058 0.7406
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3096 0.3223
Loa Loa (eye worm) tubulin beta-4 chain 0.0759 0.953 1
Loa Loa (eye worm) acetyltransferase 0.0301 0.3699 0.3882
Leishmania major beta tubulin 0.0759 0.953 1
Trypanosoma cruzi epsilon tubulin, putative 0.0407 0.5054 0.5271
Echinococcus multilocularis Tubulin alpha 1 chain 0.0565 0.7058 0.7058
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0334 0.4124 0.4306
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3096 0.3223
Trichomonas vaginalis tubulin alpha chain, putative 0.0407 0.5054 0.5285
Schistosoma mansoni hypothetical protein 0.0697 0.8743 0.9175
Leishmania major beta tubulin 0.0759 0.953 1
Schistosoma mansoni tubulin subunit gamma 0.0407 0.5054 0.5304
Echinococcus multilocularis Tubulin beta 2C chain 0.0759 0.953 0.953
Trichomonas vaginalis tubulin alpha chain, putative 0.023 0.2803 0.2914
Schistosoma mansoni tubulin subunit beta 0.0759 0.953 1
Schistosoma mansoni tubulin subunit alpha 0.0565 0.7058 0.7406
Trichomonas vaginalis tubulin gamma chain, putative 0.0407 0.5054 0.5285
Loa Loa (eye worm) tubulin beta-2A chain 0.0759 0.953 1
Trypanosoma cruzi alpha tubulin, putative 0.0565 0.7058 0.7388
Brugia malayi hypothetical protein 0.0258 0.3148 0.3303
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3096 0.3223
Leishmania major beta tubulin 0.0759 0.953 1
Schistosoma mansoni tubulin subunit beta 0.0759 0.953 1
Echinococcus granulosus tubulin alpha 3 chain 0.0565 0.7058 0.7406
Trypanosoma brucei beta tubulin 0.0759 0.953 1
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Trichomonas vaginalis tubulin gamma chain, putative 0.0759 0.953 1
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Trypanosoma brucei beta tubulin 0.0407 0.5054 0.5271
Trypanosoma brucei beta tubulin 0.0759 0.953 1
Loa Loa (eye worm) tubulin gamma chain 0.0407 0.5054 0.5304
Echinococcus multilocularis survival motor neuron protein 1 0.0258 0.3148 0.3148
Trichomonas vaginalis tubulin, putative 0.0759 0.953 1
Leishmania major gamma-tubulin 0.0407 0.5054 0.5271
Brugia malayi Tubulin beta chain 0.023 0.2803 0.2941
Schistosoma mansoni alpha tubulin 0.0565 0.7058 0.7406
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0388 0.4807 0.5044
Echinococcus multilocularis tubulin subunit beta 0.0759 0.953 0.953
Echinococcus granulosus tubulin alpha chain 0.0565 0.7058 0.7406
Echinococcus granulosus tubulin subunit TubB 0.0565 0.7058 0.7406
Schistosoma mansoni tubulin subunit epsilon 0.0407 0.5054 0.5304
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Echinococcus granulosus tubulin gamma 1 chain 0.0407 0.5054 0.5304
Giardia lamblia Alpha-tubulin 0.0565 0.7058 0.7379
Toxoplasma gondii beta tubulin 0.0759 0.953 1
Leishmania major beta tubulin 0.0759 0.953 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0565 0.7058 0.7396
Trichomonas vaginalis tubulin, putative 0.023 0.2803 0.2914
Entamoeba histolytica tubulin alpha chain, putative 0.0565 0.7058 0.7359
Trypanosoma brucei tubulin gamma chain 0.0407 0.5054 0.5271
Trypanosoma brucei epsilon tubulin 0.0407 0.5054 0.5271
Echinococcus multilocularis peroxisome assembly protein 26 0.0565 0.7058 0.7058
Echinococcus granulosus beta tubulin 0.0759 0.953 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0301 0.3699 0.3882
Brugia malayi tubulin alpha-2 chain 0.0565 0.7058 0.7406
Echinococcus multilocularis tubulin alpha chain 0.0565 0.7058 0.7058
Plasmodium falciparum tubulin gamma chain 0.0407 0.5054 0.5271
Echinococcus granulosus Tubulin beta 2C chain 0.0759 0.953 1
Leishmania major beta tubulin 0.0759 0.953 1
Plasmodium vivax tubulin alpha chain, putative 0.0565 0.7058 0.7388
Plasmodium falciparum tubulin epsilon chain, putative 0.0407 0.5054 0.5271
Echinococcus multilocularis beta tubulin 0.0759 0.953 0.953
Loa Loa (eye worm) hypothetical protein 0.0258 0.3148 0.3303
Echinococcus multilocularis tubulin alpha 0.0407 0.5054 0.5054
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0253 0.3096 0.3249
Leishmania major beta tubulin 0.0759 0.953 1
Loa Loa (eye worm) BEN-1 protein 0.0759 0.953 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0759 0.953 0.953
Leishmania major beta tubulin 0.0759 0.953 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0301 0.3699 0.3699
Echinococcus granulosus Tubulin beta 2C chain 0.0759 0.953 1
Leishmania major beta tubulin 0.0759 0.953 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0565 0.7058 0.7058
Schistosoma mansoni alpha tubulin 0.0565 0.7058 0.7406
Giardia lamblia Beta tubulin 0.0759 0.953 1
Echinococcus granulosus beta tubulin 0.0759 0.953 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.023 0.2803 0.2914
Leishmania major beta tubulin 0.0759 0.953 1
Leishmania major beta tubulin 0.0759 0.953 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0759 0.953 1
Trichomonas vaginalis tubulin beta chain, putative 0.0759 0.953 1
Schistosoma mansoni microtubule-associated protein tau 0.0752 0.9436 0.9902
Brugia malayi Tubulin alpha chain 0.0565 0.7058 0.7406
Echinococcus granulosus histone acetyltransferase KAT2B 0.0292 0.3592 0.3769
Echinococcus granulosus tubulin subunit beta 0.0759 0.953 1
Echinococcus granulosus tubulin alpha chain 0.0565 0.7058 0.7406
Echinococcus granulosus Tubulin alpha 1 chain 0.0565 0.7058 0.7406
Trypanosoma brucei alpha tubulin, putative 0.023 0.2803 0.2892
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0388 0.4807 0.5025
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2829 0.2941
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Plasmodium vivax tubulin beta chain, putative 0.0759 0.953 1
Echinococcus multilocularis tubulin alpha chain 0.0565 0.7058 0.7058
Echinococcus granulosus tubulin beta 1 chain 0.0759 0.953 1
Echinococcus granulosus tubulin alpha 3 chain 0.0565 0.7058 0.7406
Loa Loa (eye worm) follicle stimulating hormone receptor 0.023 0.2796 0.2934
Echinococcus granulosus tubulin alpha chain 0.0565 0.7058 0.7406
Trypanosoma brucei alpha tubulin 0.0565 0.7058 0.7388
Echinococcus granulosus alpha tubulin 0.0565 0.7058 0.7406
Leishmania major beta tubulin 0.0759 0.953 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0565 0.7058 0.7058
Loa Loa (eye worm) alpha-tubulin 0.0565 0.7058 0.7406
Giardia lamblia Gamma tubulin 0.0407 0.5054 0.5255
Echinococcus multilocularis Tubulin beta 2C chain 0.0759 0.953 0.953
Echinococcus granulosus Tubulin alpha 1 chain 0.0565 0.7058 0.7406
Brugia malayi tubulin alpha chain - mouse 0.0565 0.7058 0.7406
Onchocerca volvulus 0.0233 0.2829 1
Toxoplasma gondii alpha tubulin TUBA1 0.0565 0.7058 0.7388
Leishmania major alpha tubulin 0.0565 0.7058 0.7388
Trypanosoma brucei epsilon tubulin 0.0407 0.5054 0.5271
Brugia malayi alpha-tubulin 0.0565 0.7058 0.7406
Trypanosoma brucei beta tubulin 0.0759 0.953 1
Loa Loa (eye worm) beta-tubulin 0.0759 0.953 1
Plasmodium falciparum tubulin beta chain 0.0759 0.953 1
Brugia malayi Fli-1 protein 0.0215 0.2603 0.2731
Trichomonas vaginalis tubulin epsilon chain, putative 0.0565 0.7058 0.7396

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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