Detailed information for compound 19299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.3 | Formula: C14H15N5O4
  • H donors: 2 H acceptors: 4 LogP: -0.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)OC1CCn2c1nc1c2C(=O)C(=C(C1=N)NC(=O)C)C
  • InChi: 1S/C14H15N5O4/c1-5-9(17-6(2)20)8(15)10-11(12(5)21)19-4-3-7(13(19)18-10)23-14(16)22/h7,15H,3-4H2,1-2H3,(H2,16,22)(H,17,20)
  • InChiKey: VBFCBKLFZATVJQ-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
Toxoplasma gondii alpha-tubulin I, putative 0.0459 0.7071 0.7071
Echinococcus multilocularis Tubulin beta 2C chain 0.0638 1 1
Plasmodium vivax delta tubulin, putative 0.0146 0.1952 0.1952
Giardia lamblia Alpha-tubulin 0.0459 0.7071 0.636
Trypanosoma brucei alpha tubulin 0.0459 0.7071 0.7071
Trypanosoma brucei zeta tubulin, putative 0.0146 0.1952 0.1952
Mycobacterium tuberculosis Cell division protein FtsZ 0.0146 0.1952 0.5
Loa Loa (eye worm) tubulin alpha-2 chain 0.0459 0.7071 0.7071
Leishmania major beta tubulin 0.0638 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0459 0.7071 0.7015
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Brugia malayi Tubulin alpha-2 chain 0.0459 0.7071 0.7071
Leishmania major epsilon tubulin, putative 0.0336 0.5058 0.5058
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Trypanosoma cruzi alpha tubulin, putative 0.0459 0.7071 0.7071
Leishmania major beta tubulin 0.0638 1 1
Echinococcus multilocularis beta tubulin 0.0638 1 1
Entamoeba histolytica tubulin family protein 0.0638 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0336 0.5058 0.5058
Echinococcus multilocularis Tubulin alpha 1 chain 0.0459 0.7071 0.7015
Schistosoma mansoni tubulin subunit alpha 0.0459 0.7071 0.7025
Echinococcus multilocularis tubulin delta chain 0.0146 0.1952 0.18
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0185 0.0033
Trichomonas vaginalis tubulin alpha chain, putative 0.0336 0.5058 0.386
Entamoeba histolytica tubulin alpha chain, putative 0.0459 0.7071 0.7015
Trypanosoma brucei beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin, putative 0.0638 1 1
Trichomonas vaginalis tubulin, putative 0.019 0.2674 0.0898
Trichomonas vaginalis tubulin beta chain, putative 0.0638 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0459 0.7071 0.636
Echinococcus granulosus beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0459 0.7071 0.636
Echinococcus granulosus Tubulin alpha 1 chain 0.0459 0.7071 0.7015
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0313 0.4686 0.4686
Trichomonas vaginalis tubulin alpha chain, putative 0.019 0.2674 0.0898
Echinococcus granulosus Tubulin beta 2C chain 0.0638 1 1
Leishmania major gamma-tubulin 0.0336 0.5058 0.5058
Trypanosoma brucei beta tubulin 0.0638 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0459 0.7071 0.7015
Schistosoma mansoni tubulin subunit alpha 0.0146 0.1952 0.1827
Loa Loa (eye worm) hypothetical protein 0.0159 0.2161 0.2161
Schistosoma mansoni hypothetical protein 0.0038 0.0185 0.0033
Loa Loa (eye worm) tubulin beta chain 0.0638 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0459 0.7071 0.7015
Echinococcus multilocularis tubulin subunit TubB 0.0459 0.7071 0.7015
Loa Loa (eye worm) hypothetical protein 0.0459 0.7071 0.7071
Leishmania major beta tubulin 0.0638 1 1
Brugia malayi Tubulin beta chain 0.019 0.2674 0.2674
Echinococcus granulosus tubulin delta chain 0.0146 0.1952 0.18
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Loa Loa (eye worm) tubulin beta-1 chain 0.0638 1 1
Schistosoma mansoni tubulin subunit beta 0.0638 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0459 0.7071 0.7015
Echinococcus granulosus Tubulin beta 2C chain 0.0638 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0638 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0459 0.7071 0.636
Loa Loa (eye worm) hypothetical protein 0.0036 0.0152 0.0152
Echinococcus multilocularis Tubulin beta 2C chain 0.0638 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0459 0.7071 0.7015
Echinococcus multilocularis tubulin alpha 3 chain 0.0459 0.7071 0.7015
Brugia malayi tubulin alpha chain - mouse 0.0459 0.7071 0.7071
Loa Loa (eye worm) tubulin alpha-3 chain 0.0269 0.3964 0.3964
Plasmodium vivax tubulin alpha chain, putative 0.0459 0.7071 0.7071
Trypanosoma brucei zeta tubulin 0.0146 0.1952 0.1952
Trypanosoma brucei beta tubulin 0.0638 1 1
Schistosoma mansoni tubulin subunit delta 0.0146 0.1952 0.1827
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0146 0.1952 0.5
Trypanosoma cruzi tubulin delta chain 0.0146 0.1952 0.1952
Loa Loa (eye worm) alpha-tubulin 0.0459 0.7071 0.7071
Brugia malayi Tubulin alpha chain 0.0146 0.1952 0.1952
Toxoplasma gondii beta-1 tubulin, putative 0.0638 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0638 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0459 0.7071 0.7071
Trypanosoma brucei beta tubulin 0.0336 0.5058 0.5058
Echinococcus multilocularis tubulin beta 1 chain 0.0638 1 1
Schistosoma mansoni tubulin subunit gamma 0.0336 0.5058 0.4982
Leishmania major zeta tubulin, putative 0.0146 0.1952 0.1952
Entamoeba histolytica tubulin gamma chain 0.0336 0.5058 0.4965
Trichomonas vaginalis tubulin epsilon chain, putative 0.0459 0.7071 0.636
Schistosoma mansoni tubulin subunit beta 0.0638 1 1
Schistosoma mansoni hypothetical protein 0.0178 0.2476 0.236
Trypanosoma cruzi beta tubulin, putative 0.0638 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0638 1 1
Schistosoma mansoni alpha tubulin 0.0459 0.7071 0.7025
Leishmania major beta tubulin 0.0638 1 1
Echinococcus granulosus beta tubulin 0.0638 1 1
Echinococcus granulosus tubulin alpha chain 0.0459 0.7071 0.7015
Echinococcus multilocularis geminin 0.0178 0.2476 0.2334
Loa Loa (eye worm) tubulin beta-2A chain 0.0638 1 1
Brugia malayi Tubulin gamma chain 0.0336 0.5058 0.5058
Echinococcus granulosus tubulin gamma 1 chain 0.0336 0.5058 0.4965
Trypanosoma brucei epsilon tubulin 0.0336 0.5058 0.5058
Toxoplasma gondii alpha tubulin TUBA1 0.0459 0.7071 0.7071
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Giardia lamblia Beta tubulin 0.0638 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0459 0.7071 0.7071
Leishmania major beta tubulin 0.0638 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0459 0.7071 0.7015
Echinococcus granulosus alpha tubulin 0.0459 0.7071 0.7015
Echinococcus multilocularis tubulin alpha chain 0.0459 0.7071 0.7015
Echinococcus multilocularis tubulin epsilon chain 0.0336 0.5058 0.4965
Trichomonas vaginalis tubulin gamma chain, putative 0.0336 0.5058 0.386
Brugia malayi alpha-tubulin 0.0459 0.7071 0.7071
Trypanosoma brucei epsilon tubulin 0.0336 0.5058 0.5058
Trichomonas vaginalis tubulin beta chain, putative 0.0459 0.7071 0.636
Trypanosoma cruzi tubulin delta chain 0.0146 0.1952 0.1952
Loa Loa (eye worm) tubulin alpha 2 0.0123 0.1579 0.1579
Leishmania major beta tubulin 0.0638 1 1
Plasmodium falciparum tubulin gamma chain 0.0336 0.5058 0.5058
Trypanosoma brucei alpha tubulin 0.0459 0.7071 0.7071
Schistosoma mansoni tubulin subunit epsilon 0.0336 0.5058 0.4982
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1617 0.1617
Loa Loa (eye worm) hypothetical protein 0.0052 0.0423 0.0423
Mycobacterium ulcerans cell division protein FtsZ 0.0146 0.1952 0.5
Trichomonas vaginalis tubulin alpha chain, putative 0.019 0.2674 0.0898
Leishmania major beta tubulin 0.0638 1 1
Schistosoma mansoni tubulin subunit beta 0.0638 1 1
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Leishmania major beta tubulin 0.0638 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0423 0.0423
Echinococcus granulosus tubulin alpha 1C chain 0.0459 0.7071 0.7015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0423 0.0423
Trypanosoma brucei epsilon tubulin 0.0336 0.5058 0.5058
Leishmania major beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.019 0.2674 0.0898
Brugia malayi Cell division protein ftsZ 0.0146 0.1952 0.1952
Mycobacterium leprae cell division protein FtsZ 0.0146 0.1952 0.5
Loa Loa (eye worm) BEN-1 protein 0.0638 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.019 0.2674 0.0898
Echinococcus granulosus Tubulin beta 2C chain 0.0638 1 1
Leishmania major beta tubulin 0.0638 1 1
Trypanosoma brucei alpha tubulin 0.0459 0.7071 0.7071
Loa Loa (eye worm) hypothetical protein 0.0269 0.3964 0.3964
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Echinococcus multilocularis tubulin alpha chain 0.0459 0.7071 0.7015
Plasmodium falciparum tubulin delta chain, putative 0.0146 0.1952 0.1952
Brugia malayi beta-tubulin, identical 0.0638 1 1
Schistosoma mansoni tubulin subunit beta 0.0638 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0336 0.5058 0.5058
Trypanosoma brucei beta tubulin 0.0638 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0336 0.5058 0.4965
Echinococcus granulosus tubulin epsilon chain 0.0336 0.5058 0.4965
Echinococcus multilocularis tubulin alpha chain 0.0459 0.7071 0.7015
Echinococcus multilocularis tubulin alpha 1C chain 0.0459 0.7071 0.7015
Giardia lamblia Alpha-tubulin 0.0459 0.7071 0.636
Loa Loa (eye worm) tubulin gamma chain 0.0336 0.5058 0.5058
Treponema pallidum cell division protein FtsZ 0.0146 0.1952 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0152 0.0152
Leishmania major beta tubulin 0.0638 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0638 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0336 0.5058 0.5058
Trichomonas vaginalis tubulin beta chain, putative 0.0459 0.7071 0.636
Plasmodium falciparum alpha tubulin 2 0.0459 0.7071 0.7071
Echinococcus granulosus tubulin alpha 1C chain 0.0459 0.7071 0.7015
Trypanosoma cruzi tubulin gamma chain 0.0336 0.5058 0.5058
Loa Loa (eye worm) BEN-1 protein 0.0638 1 1
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Onchocerca volvulus 0.019 0.2674 1
Trypanosoma brucei tubulin gamma chain 0.0336 0.5058 0.5058
Plasmodium falciparum tubulin beta chain 0.0638 1 1
Echinococcus multilocularis tubulin subunit beta 0.0638 1 1
Echinococcus granulosus tubulin subunit TubB 0.0459 0.7071 0.7015
Plasmodium vivax tubulin epsilon chain, putative 0.0336 0.5058 0.5058
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Trypanosoma brucei tubulin delta chain 0.0146 0.1952 0.1952
Schistosoma mansoni tubulin subunit alpha 0.0459 0.7071 0.7025
Trichomonas vaginalis tubulin epsilon chain, putative 0.0638 1 1
Leishmania major beta tubulin 0.0638 1 1
Leishmania major beta tubulin 0.0638 1 1
Loa Loa (eye worm) hypothetical protein 0.0313 0.4686 0.4686
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0146 0.1952 0.1952
Brugia malayi hypothetical protein 0.0038 0.0185 0.0185
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0638 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0459 0.7071 0.7071
Echinococcus multilocularis tubulin alpha 0.0336 0.5058 0.4965
Echinococcus multilocularis Tubulin beta 2C chain 0.0638 1 1
Loa Loa (eye worm) beta-tubulin 0.0638 1 1
Brugia malayi MH2 domain containing protein 0.0125 0.1617 0.1617
Echinococcus multilocularis beta tubulin 0.0638 1 1
Loa Loa (eye worm) alpha-tubulin 0.0459 0.7071 0.7071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0423 0.0423
Leishmania major delta tubulin, putative 0.0146 0.1952 0.1952
Leishmania major beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0459 0.7071 0.636
Trichomonas vaginalis tubulin beta chain, putative 0.0459 0.7071 0.636
Brugia malayi tubulin alpha-2 chain 0.0459 0.7071 0.7071
Schistosoma mansoni tubulin subunit beta 0.0638 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0459 0.7071 0.7015
Echinococcus granulosus Tubulin alpha 1 chain 0.0459 0.7071 0.7015
Echinococcus granulosus tubulin alpha chain 0.0459 0.7071 0.7015
Toxoplasma gondii beta-tubulin, putative 0.0638 1 1
Toxoplasma gondii beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.019 0.2674 0.0898
Trypanosoma brucei alpha tubulin, putative 0.019 0.2674 0.2674
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1617 0.1617
Brugia malayi Tubulin alpha chain 0.0459 0.7071 0.7071
Giardia lamblia Beta tubulin 0.0638 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0146 0.1952 0.1952
Echinococcus granulosus tubulin alpha chain 0.0459 0.7071 0.7015
Echinococcus multilocularis tubulin alpha chain 0.0459 0.7071 0.7015
Entamoeba histolytica tubulin family protein 0.0638 1 1
Schistosoma mansoni hypothetical protein 0.0178 0.2476 0.236
Brugia malayi Tubulin beta chain 0.0146 0.1952 0.1952
Plasmodium falciparum tubulin epsilon chain, putative 0.0336 0.5058 0.5058
Trichomonas vaginalis tubulin alpha chain, putative 0.0638 1 1
Schistosoma mansoni tubulin subunit alpha 0.0459 0.7071 0.7025
Trypanosoma cruzi zeta tubulin, putative 0.0146 0.1952 0.1952
Echinococcus multilocularis Tubulin alpha 1 chain 0.0459 0.7071 0.7015
Echinococcus granulosus tubulin beta 4A class IVa 0.0638 1 1
Schistosoma mansoni tubulin subunit beta 0.0146 0.1952 0.1827
Schistosoma mansoni tubulin subunit beta 0.0638 1 1
Echinococcus granulosus tubulin alpha chain 0.0459 0.7071 0.7015
Brugia malayi Tubulin alpha-2 chain 0.0459 0.7071 0.7071
Giardia lamblia Beta tubulin 0.0638 1 1
Leishmania major beta tubulin 0.0638 1 1
Schistosoma mansoni alpha tubulin 0.0459 0.7071 0.7025
Leishmania major beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0638 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0336 0.5058 0.5058
Plasmodium vivax tubulin beta chain, putative 0.0638 1 1
Echinococcus multilocularis hypothetical protein 0.0459 0.7071 0.7015
Schistosoma mansoni alpha tubulin 0.0459 0.7071 0.7025
Loa Loa (eye worm) tubulin alpha 2 0.0313 0.4686 0.4686
Trichomonas vaginalis tubulin gamma chain, putative 0.0336 0.5058 0.386
Loa Loa (eye worm) tubulin beta chain 0.0146 0.1952 0.1952
Leishmania major beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0459 0.7071 0.636
Echinococcus granulosus tubulin alpha 0.0336 0.5058 0.4965
Echinococcus granulosus tubulin alpha chain 0.0459 0.7071 0.7015
Giardia lamblia Gamma tubulin 0.0336 0.5058 0.386
Echinococcus multilocularis tubulin alpha chain 0.0459 0.7071 0.7015
Echinococcus granulosus Tubulin alpha 1 chain 0.0459 0.7071 0.7015
Leishmania major beta tubulin 0.0638 1 1
Trichomonas vaginalis tubulin, putative 0.019 0.2674 0.0898
Echinococcus multilocularis Tubulin beta 2C chain 0.0638 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0638 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0269 0.3964 0.25
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0313 0.4686 0.3398
Loa Loa (eye worm) tubulin beta-4 chain 0.0638 1 1
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Trypanosoma brucei alpha tubulin 0.0459 0.7071 0.7071
Echinococcus granulosus tubulin alpha 3 chain 0.0459 0.7071 0.7015
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Echinococcus granulosus geminin 0.0178 0.2476 0.2334
Leishmania major alpha tubulin 0.0459 0.7071 0.7071
Loa Loa (eye worm) tubulin alpha 2 0.0313 0.4686 0.4686
Plasmodium falciparum alpha tubulin 1 0.0459 0.7071 0.7071
Brugia malayi hypothetical protein 0.0159 0.2161 0.2161
Echinococcus granulosus tubulin subunit beta 0.0638 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0146 0.1952 0.1952

Activities

Activity type Activity value Assay description Source Reference
Log LC50 (ADMET) ND 0 Concentration required for 50% lethality, evaluated on 60 different cancer cell line screens ChEMBL. 7837221

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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