Detailed information for compound 940576

Basic information

Technical information
  • TDR Targets ID: 940576
  • Name: 3-[3-oxo-3-(2H-tetrazol-5-yl)propanoyl]-1H-in dole-5-carboxylic acid
  • MW: 299.242 | Formula: C13H9N5O4
  • H donors: 3 H acceptors: 7 LogP: 0.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c[nH]c2c1cc(cc2)C(=O)O)CC(=O)c1nnn[nH]1
  • InChi: 1S/C13H9N5O4/c19-10(4-11(20)12-15-17-18-16-12)8-5-14-9-2-1-6(13(21)22)3-7(8)9/h1-3,5,14H,4H2,(H,21,22)(H,15,16,17,18)
  • InChiKey: DWIOZLFAULJRHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[1,3-dioxo-3-(2H-tetrazol-5-yl)propyl]-1H-indole-5-carboxylic acid
  • 3-[3-keto-3-(2H-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid
  • 3-[3-oxo-3-(2H-1,2,3,4-tetrazol-5-yl)propanoyl]-1H-indole-5-carboxylic acid
  • 1H-Indole-5-carboxylic acid, 3-[(2Z)-3-hydroxy-1-oxo-3-(1H-tetrazol-5-yl)-2-propenyl]-
  • AIDS-122876
  • AIDS122876

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) hypothetical protein 0.0111 0.0196 0.3845
Loa Loa (eye worm) histone deacetylase 0.0212 0.045 0.8842
Echinococcus multilocularis histone deacetylase 6 0.0212 0.045 0.8842
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0012 0.0244
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0045 0.0031 0.0602
Echinococcus granulosus UDP glucose 4 epimerase 0.0051 0.0045 0.0883
Entamoeba histolytica histone deacetylase, putative 0.0235 0.0509 1
Brugia malayi histone deacetylase 3 (HD3) 0.0235 0.0509 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.0051 0.0045 0.0299
Loa Loa (eye worm) histone deacetylase 7A 0.0212 0.045 0.8842
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0235 0.0509 1
Loa Loa (eye worm) histone deacetylase 1 0.0235 0.0509 1
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.045 0.8768
Trypanosoma brucei UDP-galactose 4-epimerase 0.0049 0.004 0.0205
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0509 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0051 0.0045 0.0299
Schistosoma mansoni histone deacetylase hda2 0.0101 0.0171 0.3371
Trypanosoma cruzi histone deacetylase 1, putative 0.0235 0.0509 1
Echinococcus granulosus histone deacetylase 0.0212 0.045 0.8842
Plasmodium vivax histone deacetylase 1, putative 0.0235 0.0509 1
Echinococcus granulosus histone deacetylase 3 0.0235 0.0509 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0171 0.3371
Echinococcus multilocularis histone deacetylase 6 0.0212 0.045 0.8842
Echinococcus multilocularis histone deacetylase 3 0.0235 0.0509 1
Echinococcus granulosus histone deacetylase 1 0.0235 0.0509 1
Giardia lamblia Histone deacetylase 0.0235 0.0509 1
Leishmania major udp-glc 4-epimerase, putative 0.0049 0.004 0.0205
Echinococcus granulosus histone deacetylase 6 0.0212 0.045 0.8842
Schistosoma mansoni histone deacetylase 1 2 3 0.0101 0.0171 0.3371
Schistosoma mansoni UDP-glucose 4-epimerase 0.0051 0.0045 0.0883
Echinococcus multilocularis UDP glucose 4 epimerase 0.0051 0.0045 0.0883
Loa Loa (eye worm) hypothetical protein 0.0038 0.0012 0.0244
Echinococcus multilocularis histone deacetylase 6 0.0218 0.0465 0.9142
Brugia malayi Histone deacetylase family protein 0.0212 0.045 0.8842
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0235 0.0509 1
Trypanosoma brucei histone deacetylase 3 0.0212 0.045 0.8768
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0012 0.0244
Onchocerca volvulus Histone deacetylase 10 homolog 0.0101 0.0171 1
Leishmania major histone deacetylase, putative 0.0235 0.0509 1
Trypanosoma brucei histone deacetylase 2 0.0101 0.0171 0.2946
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0045 0.0299
Plasmodium vivax histone deacetylase 2, putative 0.0212 0.045 0.8768
Toxoplasma gondii hypothetical protein 0.0083 0.0126 0.2001
Loa Loa (eye worm) histone deacetylase 3 0.0235 0.0509 1
Echinococcus granulosus histone deacetylase 8 0.0101 0.0171 0.3371
Plasmodium vivax histone deacetylase, putative 0.0212 0.045 0.8768
Loa Loa (eye worm) hypothetical protein 0.0117 0.0211 0.4144
Echinococcus granulosus disco interacting protein 2 0.0038 0.0012 0.0244
Toxoplasma gondii histone deacetylase HDAC2 0.0235 0.0509 1
Leishmania major histone deacetylase, putative 0.0212 0.045 0.8768
Plasmodium falciparum histone deacetylase 2 0.0212 0.045 0.8768
Echinococcus granulosus histone deacetylase 6 0.0218 0.0465 0.9142
Giardia lamblia UDP-glucose 4-epimerase 0.0049 0.004 0.0205
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0045 0.0031 0.0602
Schistosoma mansoni histone deacetylase hda2 0.0218 0.0465 0.9142
Trypanosoma brucei histone deacetylase, putative 0.0212 0.045 0.8768
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0045 0.0031 0.0602
Trypanosoma brucei histone deacetylase 1 0.0235 0.0509 1
Plasmodium falciparum histone deacetylase 1 0.0235 0.0509 1
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0045 0.0031 0.0602
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0012 0.0244
Toxoplasma gondii histone deacetylase HDAC4 0.0101 0.0171 0.2946
Toxoplasma gondii histone deacetylase HDAC5 0.0101 0.0171 0.2946
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0051 0.0045 0.0299
Leishmania major histone deacetylase, putative 0.0235 0.0509 1
Echinococcus multilocularis histone deacetylase 0.0212 0.045 0.8842
Trypanosoma brucei histone deacetylase 4 0.0212 0.045 0.8768
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0235 0.0509 1
Schistosoma mansoni histone deacetylase 0.0235 0.0509 1
Brugia malayi histone deacetylase 1 (HD1) 0.0235 0.0509 1
Echinococcus multilocularis histone deacetylase 8 0.0101 0.0171 0.3371
Toxoplasma gondii histone deacetylase HDAC3 0.0235 0.0509 1
Brugia malayi Histone deacetylase 1 0.0235 0.0509 1
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.045 0.8768
Loa Loa (eye worm) histone deacetylase 11 0.0101 0.0171 0.3371
Echinococcus multilocularis histone deacetylase 1 0.0235 0.0509 1
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0509 1
Trypanosoma cruzi histone deacetylase, putative 0.0101 0.0171 0.2946
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.045 0.8842
Trypanosoma cruzi histone deacetylase, putative 0.0101 0.0171 0.2946
Leishmania major histone deacetylase, putative 0.0212 0.045 0.8768
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0051 0.0045 0.0299
Echinococcus granulosus histone deacetylase 6 0.0212 0.045 0.8842
Brugia malayi Histone deacetylase family protein 0.0212 0.045 0.8842
Echinococcus granulosus histone deacetylase 7 0.0212 0.045 0.8842
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0051 0.0045 0.0299
Trypanosoma cruzi histone deacetylase 1, putative 0.0235 0.0509 1
Plasmodium vivax histone deacetylase, putative 0.0101 0.0171 0.2946
Echinococcus multilocularis histone deacetylase 7 0.0212 0.045 0.8842
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0051 0.0045 0.0883
Schistosoma mansoni histone deacetylase 0.0235 0.0509 1
Onchocerca volvulus 0.0038 0.0012 0.0723
Plasmodium falciparum histone deacetylase, putative 0.0212 0.045 0.8768
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0509 1
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0045 0.0031 0.0602
Brugia malayi histone deacetylase 11 0.0101 0.0171 0.3371
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4012 1 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.0509 1
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0509 1
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0509 1
Brugia malayi UDP galactose 4'-epimerase 0.0051 0.0045 0.0883
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0509 1
Toxoplasma gondii histone deacetylase HDAC1 0.0212 0.045 0.8768
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.045 0.8842
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.045 0.8768
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0126 0.2001
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0045 0.0299
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.3967 0.9887 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40 uM Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay ChEMBL. 12109903
IC50 (binding) = 40 uM Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay ChEMBL. 12109903

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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