Detailed information for compound 29201

Basic information

Technical information
  • TDR Targets ID: 29201
  • Name: 6-chloro-1H-indole-2-carboxylic acid
  • MW: 195.602 | Formula: C9H6ClNO2
  • H donors: 2 H acceptors: 2 LogP: 2.54 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[nH]c(c2)C(=O)O
  • InChi: 1S/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
  • InChiKey: BKPSJOSKWKTWAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 16732-75-5
  • BAS 12768059
  • ST5321553
  • EINECS 240-799-5
  • AIDS-209135
  • AIDS209135
  • Oprea1_764381
  • AE-861/30098019

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References
Hepatitis C virus Hepatitis C virus NS3 protease/helicase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis eukaryotic translation initiation factor 4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-III, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma congolense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Neospora caninum DEAD-box ATP-dependent RNA helicase 34 (EC 3.6.1.-), related Get druggable targets OG5_126984 All targets in OG5_126984
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium vivax RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium berghei eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Toxoplasma gondii eukaryotic initiation factor-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Treponema pallidum ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium hominis eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania mexicana Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Onchocerca volvulus Eukaryotic initiation factor 4A homolog Get druggable targets OG5_126984 All targets in OG5_126984
Entamoeba histolytica DEAD/DEAH box helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania braziliensis eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei gambiense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum ATP-dependent RNA helicase eIF4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium parvum eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
Brugia malayi eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Giardia lamblia Translation initiation factor eIF-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Theileria parva RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium falciparum eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium knowlesi eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania donovani Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium yoelii RNA helicase-1 Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-II, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2332 0.9998 1
Mycobacterium ulcerans carbonic anhydrase 0.1687 0.719 1
Trichomonas vaginalis conserved hypothetical protein 0.1687 0.719 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0038 0.0038
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0263 0.0986 0.2097
Leishmania major carbonic anhydrase family protein, putative 0.1613 0.6865 0.6855
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2332 0.9998 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2332 0.9998 1
Echinococcus granulosus carbonic anhydrase II 0.2332 0.9998 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2332 0.9998 0.9996
Leishmania major carbonic anhydrase-like protein 0.2332 0.9998 1
Mycobacterium ulcerans transferase 0.0075 0.017 0.0237
Onchocerca volvulus Putative sulfate transporter 0.0227 0.0833 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0038 0.0038
Plasmodium falciparum carbonic anhydrase 0.1015 0.4262 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1083 0.4561 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1009 0.4235 0.928
Plasmodium vivax sulfate transporter, putative 0.0036 0 0.5
Echinococcus granulosus carbonic anhydrase 0.1015 0.4262 0.4156
Entamoeba histolytica acetyltransferase, putative 0.0078 0.0183 0.0213
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2332 0.9998 1
Mycobacterium ulcerans hypothetical protein 0.0045 0.0038 0.0053
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0078 0.0183 0.0322
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2332 0.9998 1
Schistosoma mansoni carbonic anhydrase 0.1613 0.6865 0.4538
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0078 0.0183 1
Echinococcus granulosus carbonic anhydrase 0.1015 0.4262 0.4156
Echinococcus multilocularis carbonic anhydrase II 0.2332 0.9998 1
Chlamydia trachomatis sulfate transporter 0.0036 0 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2332 0.9998 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0867 0.3616 0.7912
Entamoeba histolytica carbonic anhydrase, putative 0.1613 0.6865 1
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.0038 0.0038
Mycobacterium ulcerans carbonic anhydrase 0.1613 0.6865 0.9547
Mycobacterium leprae Probable transmembrane transport protein 0.0263 0.0986 0.1219
Trypanosoma brucei carbonic anhydrase-like protein 0.2332 0.9998 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0078 0.0183 1
Entamoeba histolytica ankyrin, putative 0.0078 0.0183 0.0213
Loa Loa (eye worm) carbonic anhydrase 3 0.2332 0.9998 0.9996
Echinococcus granulosus carbonic anhydrase 0.1015 0.4262 0.4156
Onchocerca volvulus 0.0227 0.0833 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1613 0.6865 1
Toxoplasma gondii hypothetical protein 0.1015 0.4262 1
Trichomonas vaginalis conserved hypothetical protein 0.1687 0.719 1

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) ~ 0.4 uM Dissociation constant for HCV NS3 protease substrate binding site ChEMBL. 15115392
Kd (binding) ~ 0.4 uM Dissociation constant for HCV NS3 protease substrate binding site ChEMBL. 15115392
Ki (binding) = 10 uM Inhibition of strychnine-insensitive [3H]-glycine binding to the N-methyl-D-aspartate glutamate receptor of synaptic plasma membranes(SPM) prepared from rat forebrain ChEMBL. 1849994
Ki (binding) = 10 uM Inhibition of strychnine-insensitive [3H]-glycine binding to the N-methyl-D-aspartate glutamate receptor of synaptic plasma membranes(SPM) prepared from rat forebrain ChEMBL. 1849994

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

2 literature references were collected for this gene.

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