Detailed information for compound 1724882

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.245 | Formula: C13H12N2O4
  • H donors: 2 H acceptors: 4 LogP: 0.38 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(C(=O)N1)N1Cc2c(C1=O)c(O)ccc2
  • InChi: 1S/C13H12N2O4/c16-9-3-1-2-7-6-15(13(19)11(7)9)8-4-5-10(17)14-12(8)18/h1-3,8,16H,4-6H2,(H,14,17,18)
  • InChiKey: ZHINEOZMGPJDNM-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 gamma chain, putative 0.0271 0.1369 0.3641
Giardia lamblia Alpha-tubulin 0.0391 0.2768 0.5854
Schistosoma mansoni tubulin subunit alpha 0.0391 0.2768 0.7271
Entamoeba histolytica tubulin family protein 0.0476 0.376 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0189 0.0415 0.079
Echinococcus multilocularis Tubulin beta 2C chain 0.0476 0.376 0.3678
Trichomonas vaginalis tubulin beta chain, putative 0.0391 0.2768 0.7364
Mycobacterium ulcerans hydrolase 0.0339 0.2163 0.5
Brugia malayi Tubulin alpha chain 0.0391 0.2768 0.4574
Schistosoma mansoni tubulin subunit alpha 0.0391 0.2768 0.7271
Onchocerca volvulus Matrilysin homolog 0.0617 0.5404 1
Trichomonas vaginalis tubulin beta chain, putative 0.0391 0.2768 0.7364
Schistosoma mansoni tubulin subunit epsilon 0.0271 0.1369 0.3417
Trichomonas vaginalis tubulin epsilon chain, putative 0.0391 0.2768 0.7364
Leishmania major beta tubulin 0.0476 0.376 1
Loa Loa (eye worm) tubulin alpha 2 0.0273 0.1399 0.0819
Schistosoma mansoni tubulin subunit beta 0.0476 0.376 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0391 0.2768 0.2674
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Brugia malayi Tubulin alpha-2 chain 0.0391 0.2768 0.4574
Trypanosoma cruzi beta tubulin, putative 0.0476 0.376 1
Brugia malayi Tubulin alpha-2 chain 0.0391 0.2768 0.4574
Loa Loa (eye worm) hypothetical protein 0.0273 0.1399 0.0819
Loa Loa (eye worm) BEN-1 protein 0.0476 0.376 0.5476
Schistosoma mansoni tubulin subunit alpha 0.0391 0.2768 0.7271
Echinococcus granulosus Tubulin beta 2C chain 0.0476 0.376 0.3678
Leishmania major beta tubulin 0.0476 0.376 1
Echinococcus granulosus tubulin subunit beta 0.0476 0.376 0.3678
Echinococcus granulosus tubulin alpha chain 0.0391 0.2768 0.2674
Plasmodium falciparum alpha tubulin 1 0.0391 0.2768 0.5854
Trichomonas vaginalis tubulin alpha chain, putative 0.0271 0.1369 0.3641
Echinococcus granulosus alpha tubulin 0.0391 0.2768 0.2674
Leishmania major beta tubulin 0.0476 0.376 1
Trypanosoma brucei alpha tubulin 0.0391 0.2768 0.7364
Echinococcus granulosus tubulin alpha chain 0.0391 0.2768 0.2674
Trichomonas vaginalis tubulin epsilon chain, putative 0.0476 0.376 1
Echinococcus granulosus tubulin alpha chain 0.0391 0.2768 0.2674
Echinococcus granulosus Tubulin alpha 1 chain 0.0391 0.2768 0.2674
Schistosoma mansoni alpha tubulin 0.0391 0.2768 0.7271
Mycobacterium leprae PROBABLE HYDROLASE 0.0339 0.2163 0.5
Echinococcus granulosus tubulin alpha chain 0.0391 0.2768 0.2674
Leishmania major beta tubulin 0.0476 0.376 1
Echinococcus multilocularis tubulin subunit TubB 0.0391 0.2768 0.2674
Loa Loa (eye worm) tubulin beta-4 chain 0.0476 0.376 0.5476
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0339 0.2163 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0391 0.2768 0.7364
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0278 0.1457 0.3659
Echinococcus multilocularis tubulin alpha 0.0271 0.1369 0.1257
Trypanosoma brucei beta tubulin 0.0271 0.1369 0.3641
Loa Loa (eye worm) matrixin family protein 0.0617 0.5404 0.8721
Echinococcus multilocularis Tubulin alpha 1 chain 0.0391 0.2768 0.2674
Echinococcus granulosus tubulin alpha 1C chain 0.0391 0.2768 0.2674
Giardia lamblia Beta tubulin 0.0476 0.376 1
Brugia malayi Matrixin family protein 0.0278 0.1457 0.2407
Echinococcus granulosus peroxisome assembly protein 26 0.0391 0.2768 0.2674
Echinococcus granulosus tubulin gamma 1 chain 0.0271 0.1369 0.1257
Echinococcus multilocularis tubulin alpha chain 0.0391 0.2768 0.2674
Trypanosoma brucei beta tubulin 0.0476 0.376 1
Trypanosoma brucei epsilon tubulin 0.0271 0.1369 0.3641
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Schistosoma mansoni hypothetical protein 0.0395 0.2811 0.7389
Echinococcus multilocularis hypothetical protein 0.0391 0.2768 0.2674
Brugia malayi Tubulin beta-1 chain 0.0476 0.376 0.6212
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Trypanosoma brucei alpha tubulin 0.0391 0.2768 0.7364
Plasmodium vivax tubulin alpha chain, putative 0.0391 0.2768 0.5854
Brugia malayi Tubulin gamma chain 0.0271 0.1369 0.2262
Trichomonas vaginalis tubulin beta chain, putative 0.0391 0.2768 0.7364
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.376 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0476 0.376 0.3678
Brugia malayi Matrixin family protein 0.0278 0.1457 0.2407
Toxoplasma gondii beta tubulin 0.0476 0.376 1
Loa Loa (eye worm) tubulin alpha chain 0.0391 0.2768 0.352
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0476 0.376 0.3678
Echinococcus multilocularis tubulin subunit beta 0.0476 0.376 0.3678
Leishmania major beta tubulin 0.0476 0.376 1
Echinococcus granulosus beta tubulin 0.0476 0.376 0.3678
Trypanosoma brucei beta tubulin 0.0476 0.376 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0391 0.2768 0.7364
Trypanosoma brucei tubulin gamma chain 0.0271 0.1369 0.3641
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Echinococcus multilocularis Tubulin alpha 1 chain 0.0391 0.2768 0.2674
Brugia malayi alpha-tubulin 0.0391 0.2768 0.4574
Echinococcus multilocularis Tubulin beta 2C chain 0.0476 0.376 0.3678
Loa Loa (eye worm) beta-tubulin 0.0476 0.376 0.5476
Leishmania major beta tubulin 0.0476 0.376 1
Loa Loa (eye worm) tubulin gamma chain 0.0271 0.1369 0.0759
Leishmania major beta tubulin 0.0476 0.376 1
Trypanosoma cruzi alpha tubulin, putative 0.0391 0.2768 0.5854
Loa Loa (eye worm) hypothetical protein 0.0278 0.1457 0.0932
Trypanosoma brucei alpha tubulin 0.0391 0.2768 0.7364
Loa Loa (eye worm) tubulin alpha chain 0.0391 0.2768 0.352
Loa Loa (eye worm) BEN-1 protein 0.0476 0.376 0.5476
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Echinococcus multilocularis beta tubulin 0.0476 0.376 0.3678
Echinococcus granulosus tubulin alpha 0.0271 0.1369 0.1257
Loa Loa (eye worm) hypothetical protein 0.0391 0.2768 0.352
Loa Loa (eye worm) tubulin alpha 2 0.0273 0.1399 0.0819
Echinococcus granulosus tubulin alpha 1C chain 0.0391 0.2768 0.2674
Loa Loa (eye worm) tubulin beta-2A chain 0.0476 0.376 0.5476
Schistosoma mansoni tubulin subunit beta 0.0476 0.376 1
Trypanosoma brucei beta tubulin 0.0476 0.376 1
Onchocerca volvulus 0.0395 0.2811 0.5202
Trypanosoma brucei epsilon tubulin 0.0271 0.1369 0.3641
Echinococcus multilocularis peroxisome assembly protein 26 0.0391 0.2768 0.2674
Trichomonas vaginalis tubulin epsilon chain, putative 0.0476 0.376 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.1457 0.0932
Loa Loa (eye worm) tubulin alpha-2 chain 0.0391 0.2768 0.352
Entamoeba histolytica tubulin alpha-1 chain 0.0391 0.2768 0.5854
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Echinococcus multilocularis Tubulin beta 2C chain 0.0476 0.376 0.3678
Echinococcus multilocularis tubulin alpha 3 chain 0.0391 0.2768 0.2674
Leishmania major beta tubulin 0.0476 0.376 1
Leishmania major beta tubulin 0.0476 0.376 1
Toxoplasma gondii beta-tubulin, putative 0.0476 0.376 1
Schistosoma mansoni tubulin subunit beta 0.0476 0.376 1
Schistosoma mansoni tubulin subunit beta 0.0476 0.376 1
Entamoeba histolytica tubulin alpha chain, putative 0.0391 0.2768 0.5854
Brugia malayi tubulin alpha chain - mouse 0.0391 0.2768 0.4574
Echinococcus granulosus tubulin alpha 3 chain 0.0391 0.2768 0.2674
Leishmania major beta tubulin 0.0476 0.376 1
Brugia malayi beta-tubulin, identical 0.0476 0.376 0.6212
Trichomonas vaginalis tubulin, putative 0.0476 0.376 1
Leishmania major beta tubulin 0.0476 0.376 1
Entamoeba histolytica tubulin family protein 0.0476 0.376 1
Echinococcus granulosus Tubulin beta 2C chain 0.0476 0.376 0.3678
Echinococcus granulosus tubulin alpha 3 chain 0.0391 0.2768 0.2674
Trichomonas vaginalis tubulin gamma chain, putative 0.0476 0.376 1
Loa Loa (eye worm) alpha-tubulin 0.0391 0.2768 0.352
Echinococcus multilocularis beta tubulin 0.0476 0.376 0.3678
Plasmodium vivax tubulin beta chain, putative 0.0476 0.376 1
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Trypanosoma brucei alpha tubulin 0.0391 0.2768 0.7364
Plasmodium falciparum alpha tubulin 2 0.0391 0.2768 0.5854
Echinococcus multilocularis Tubulin alpha 1 chain 0.0391 0.2768 0.2674
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0391 0.2768 0.7364
Schistosoma mansoni alpha tubulin 0.0391 0.2768 0.7271
Toxoplasma gondii alpha-tubulin I, putative 0.0391 0.2768 0.5854
Echinococcus granulosus tubulin beta 4A class IVa 0.0476 0.376 0.3678
Brugia malayi Matrixin family protein 0.0278 0.1457 0.2407
Echinococcus multilocularis tubulin alpha chain 0.0391 0.2768 0.2674
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0273 0.1399 0.3722
Loa Loa (eye worm) alpha-tubulin 0.0391 0.2768 0.352
Brugia malayi Hemopexin family protein 0.0395 0.2811 0.4645
Leishmania major beta tubulin 0.0476 0.376 1
Trypanosoma brucei epsilon tubulin 0.0271 0.1369 0.3641
Giardia lamblia Alpha-tubulin 0.0391 0.2768 0.5854
Echinococcus multilocularis tubulin alpha chain 0.0391 0.2768 0.2674
Trichomonas vaginalis tubulin beta chain, putative 0.0391 0.2768 0.7364
Leishmania major beta tubulin 0.0476 0.376 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0476 0.376 1
Echinococcus granulosus Tubulin beta 2C chain 0.0476 0.376 0.3678
Toxoplasma gondii beta-1 tubulin, putative 0.0476 0.376 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0617 0.5404 1
Plasmodium falciparum tubulin beta chain 0.0476 0.376 1
Giardia lamblia Beta tubulin 0.0476 0.376 1
Brugia malayi Matrixin family protein 0.0673 0.6053 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0273 0.1399 0.0819
Onchocerca volvulus Matrilysin homolog 0.0278 0.1457 0.2696
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Echinococcus multilocularis tubulin gamma 1 chain 0.0271 0.1369 0.1257
Leishmania major beta tubulin 0.0476 0.376 1
Echinococcus multilocularis tubulin beta 1 chain 0.0476 0.376 0.3678
Echinococcus granulosus Tubulin beta 2C chain 0.0476 0.376 0.3678
Schistosoma mansoni tubulin subunit beta 0.0476 0.376 1
Trichomonas vaginalis tubulin beta chain, putative 0.0391 0.2768 0.7364
Echinococcus multilocularis tubulin alpha 1C chain 0.0391 0.2768 0.2674
Giardia lamblia Beta tubulin 0.0476 0.376 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0271 0.1369 0.3641
Leishmania major beta tubulin 0.0476 0.376 1
Leishmania major beta tubulin 0.0476 0.376 1
Trypanosoma brucei beta tubulin 0.0476 0.376 1
Toxoplasma gondii alpha tubulin TUBA1 0.0391 0.2768 0.5854
Echinococcus granulosus beta tubulin 0.0476 0.376 0.3678
Leishmania major beta tubulin 0.0476 0.376 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0339 0.2163 0.3574
Echinococcus granulosus Tubulin beta 2C chain 0.0476 0.376 0.3678
Loa Loa (eye worm) matrixin family protein 0.0673 0.6053 1
Echinococcus multilocularis tubulin alpha chain 0.0391 0.2768 0.2674
Echinococcus granulosus tubulin beta 1 chain 0.0476 0.376 0.3678
Loa Loa (eye worm) hypothetical protein 0.0339 0.2163 0.2326
Loa Loa (eye worm) tubulin beta chain 0.0476 0.376 0.5476
Loa Loa (eye worm) tubulin beta-1 chain 0.0476 0.376 0.5476
Schistosoma mansoni tubulin subunit gamma 0.0271 0.1369 0.3417
Echinococcus granulosus Tubulin alpha 1 chain 0.0391 0.2768 0.2674
Leishmania major beta tubulin 0.0476 0.376 1
Brugia malayi tubulin alpha-2 chain 0.0391 0.2768 0.4574
Schistosoma mansoni alpha tubulin 0.0391 0.2768 0.7271
Echinococcus multilocularis tubulin alpha 1C chain 0.0391 0.2768 0.2674
Echinococcus multilocularis tubulin alpha chain 0.0391 0.2768 0.2674
Onchocerca volvulus 0.0278 0.1457 0.2696
Schistosoma mansoni tubulin subunit beta 0.0476 0.376 1
Brugia malayi Matrixin family protein 0.0278 0.1457 0.2407
Loa Loa (eye worm) matrix metalloproteinase 0.0278 0.1457 0.0932
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Leishmania major alpha tubulin 0.0391 0.2768 0.5854
Echinococcus granulosus tubulin subunit TubB 0.0391 0.2768 0.2674
Echinococcus granulosus tubulin epsilon chain 0.0271 0.1369 0.1257
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0238 0.0984 0.2618
Loa Loa (eye worm) hypothetical protein 0.0278 0.1457 0.0932
Plasmodium vivax tubulin alpha chain, putative 0.0391 0.2768 0.5854
Echinococcus multilocularis Tubulin beta 2C chain 0.0476 0.376 0.3678
Echinococcus multilocularis tubulin epsilon chain 0.0271 0.1369 0.1257
Echinococcus granulosus tubulin alpha chain 0.0391 0.2768 0.2674
Echinococcus granulosus Tubulin alpha 1 chain 0.0391 0.2768 0.2674

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1 uM Inhibition of TNF-alpha production in LPS-stimulated human PBMC preincubated for 1 hr before LPS challenge measured after 28 to 20 hrs by ELISA ChEMBL. 23168019

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23168019

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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