Detailed information for compound 2073402

Basic information

Technical information
  • TDR Targets ID: 2073402
  • Name: 2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ac etic acid
  • MW: 282.316 | Formula: C12H14N2O4S
  • H donors: 3 H acceptors: 4 LogP: 0.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNS(=O)(=O)Cc1ccc2c(c1)c(CC(=O)O)c[nH]2
  • InChi: 1S/C12H14N2O4S/c1-13-19(17,18)7-8-2-3-11-10(4-8)9(6-14-11)5-12(15)16/h2-4,6,13-14H,5,7H2,1H3,(H,15,16)
  • InChiKey: HFYQCRQPYYPRAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethanoic acid

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
Schistosoma mansoni hypothetical protein 0.0181 0.0714 0.0628
Trichomonas vaginalis adenosylhomocysteinase, putative 0.2312 1 1
Echinococcus granulosus geminin 0.0181 0.0714 0.0628
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0481 0.0441
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.2312 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0218 0.0177
Echinococcus granulosus adenosylhomocysteinase 0.2312 1 1
Schistosoma mansoni adenosylhomocysteinase 0.1431 0.6159 0.6124
Trichomonas vaginalis adenosylhomocysteinase, putative 0.2312 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0813 0.3466 0.3439
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.2312 1 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0813 0.3466 0.3439
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0481 0.0441
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0813 0.3466 0.3439
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0577 0.244 0.1647
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.2312 1 1
Plasmodium falciparum adenosylhomocysteinase 0.2312 1 1
Brugia malayi dihydrofolate reductase family protein 0.0235 0.095 0.095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0137 0.0046
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0726 0.3087 0.2214
Brugia malayi Dihydrofolate reductase 0.0235 0.095 0.095
Schistosoma mansoni hypothetical protein 0.0181 0.0714 0.0628
Echinococcus multilocularis histone h3 methyltransferase 0.0067 0.0218 0.0127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0137 0.0046
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0813 0.3466 0.3439
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0813 0.3466 0.3439
Entamoeba histolytica adenosylhomocysteinase, putative 0.2312 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0577 0.244 0.237
Leishmania major S-adenosylhomocysteine hydrolase 0.2312 1 1
Onchocerca volvulus 0.0577 0.244 0.5
Loa Loa (eye worm) dihydrofolate reductase 0.0235 0.095 0.0912
Echinococcus multilocularis adenosylhomocysteinase 0.2312 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0137 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0137 0.0046
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.2312 1 1
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.2312 1 1
Brugia malayi thymidylate synthase 0.0577 0.244 0.244
Schistosoma mansoni histone J3 methyltransferase 0.0067 0.0218 0.0127
Brugia malayi hypothetical protein 0.0038 0.0092 0.0092
Echinococcus granulosus histone h3 methyltransferase 0.0067 0.0218 0.0127
Schistosoma mansoni adenosylhomocysteinase 0.2312 1 1
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.2312 1 1
Schistosoma mansoni adenosylhomocysteinase 0.1431 0.6159 0.6124
Mycobacterium tuberculosis Hypothetical protein 0.0275 0.1121 0.0189
Toxoplasma gondii adenosylhomocysteinase, putative 0.2312 1 1
Loa Loa (eye worm) adenosylhomocysteinase 0.2312 1 1
Echinococcus multilocularis dihydrofolate reductase 0.0235 0.095 0.0866
Echinococcus granulosus thymidylate synthase 0.0577 0.244 0.237
Echinococcus granulosus dihydrofolate reductase 0.0235 0.095 0.0866
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0137 0.0046
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0813 0.3466 0.3439
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0137 0.0096
Chlamydia trachomatis dihydrofolate reductase 0.0235 0.095 0.5
Brugia malayi hypothetical protein 0.0027 0.0042 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0137 0.0046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0137 0.0046
Echinococcus multilocularis geminin 0.0181 0.0714 0.0628
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.2312 1 1
Loa Loa (eye worm) thymidylate synthase 0.0577 0.244 0.2409
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0137 0.0137
Schistosoma mansoni adenosylhomocysteinase 0.1431 0.6159 0.6124
Mycobacterium ulcerans thymidylate synthase 0.0577 0.244 0.1647
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0275 0.1121 0.1084
Schistosoma mansoni adenosylhomocysteinase 0.1431 0.6159 0.6124
Brugia malayi MH2 domain containing protein 0.0128 0.0481 0.0481
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0577 0.244 0.1647
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0067 0.0218 0.0218
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.2312 1 1
Echinococcus multilocularis thymidylate synthase 0.0577 0.244 0.237
Brugia malayi hypothetical protein 0.0275 0.1121 0.1121
Schistosoma mansoni dihydrofolate reductase 0.0235 0.095 0.0866

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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