Detailed information for compound 795402

Basic information

Technical information
  • TDR Targets ID: 795402
  • Name: 5-chloro-3-[2-[(2,5-dimethoxyphenyl)-ethylami no]-2-oxoethyl]-1H-indole-2-carboxylic acid
  • MW: 416.855 | Formula: C21H21ClN2O5
  • H donors: 2 H acceptors: 3 LogP: 3.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1cc(OC)ccc1OC)C(=O)Cc1c([nH]c2c1cc(Cl)cc2)C(=O)O
  • InChi: 1S/C21H21ClN2O5/c1-4-24(17-10-13(28-2)6-8-18(17)29-3)19(25)11-15-14-9-12(22)5-7-16(14)23-20(15)21(26)27/h5-10,23H,4,11H2,1-3H3,(H,26,27)
  • InChiKey: NMRQPLWIPUBWOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-3-[2-[(2,5-dimethoxyphenyl)-ethyl-amino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid
  • 5-chloro-3-[2-[(2,5-dimethoxyphenyl)-ethyl-amino]-2-keto-ethyl]-1H-indole-2-carboxylic acid
  • EU-0091764

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
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.6981 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.5334 0.5334
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.6981 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.6981 1
Loa Loa (eye worm) glycogen phosphorylase 0.0105 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.8566 0.8451
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.1447 0.1113
Echinococcus multilocularis chromobox protein 1 0.0068 0.5334 0.2965
Trichomonas vaginalis chromobox protein, putative 0.0068 0.5334 0.5334
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2711 0.2126
Onchocerca volvulus Glycogen phosphorylase homolog 0.0105 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.6981 1
Echinococcus granulosus Glycosyl transferase family 35 0.0105 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.8566 0.8451
Echinococcus multilocularis chromobox protein 1 0.0068 0.5334 0.2965
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.3366 0.4744
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.8566 0.7838
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.3366 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.8566 0.7838
Echinococcus multilocularis Glycosyl transferase, family 35 0.0105 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1447 0.1447
Loa Loa (eye worm) hypothetical protein 0.0048 0.2711 0.2426
Brugia malayi Probable ClpP-like protease 0.0081 0.6981 0.6738
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.6981 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.6981 1
Echinococcus multilocularis glycogen phosphorylase 0.0105 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.6981 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 1 1
Schistosoma mansoni chromobox protein 0.0068 0.5334 0.4959
Schistosoma mansoni glycogen phosphorylase 0.0045 0.2331 0.1716
Echinococcus granulosus chromobox protein 1 0.0068 0.5334 0.2965
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1824 0.1504
Loa Loa (eye worm) hypothetical protein 0.0033 0.0743 0.0381
Echinococcus multilocularis glycogen phosphorylase 0.0105 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1447 0.1447
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.8566 0.7838
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.6981 0.6738
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1824 0.1824
Schistosoma mansoni glycogen phosphorylase 0.0105 1 1
Giardia lamblia Glycogen phosphorylase 0.0105 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.8566 0.8451
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 1 1
Chlamydia trachomatis glycogen phosphorylase 0.0105 1 1
Schistosoma mansoni glycogen phosphorylase 0.0105 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.5334 0.5151
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.6981 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.6981 0.5448
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1824 0.1824
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.8566 0.7838
Echinococcus granulosus glycogen phosphorylase 0.0105 1 1
Schistosoma mansoni chromobox protein 0.0068 0.5334 0.4959
Loa Loa (eye worm) hypothetical protein 0.0038 0.1447 0.1113
Brugia malayi chromobox protein homolog 3 0.0038 0.1447 0.0761
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.8566 0.851
Echinococcus granulosus chromobox protein 1 0.0068 0.5334 0.2965
Brugia malayi Heterochromatin protein 1 0.0068 0.5334 0.4959
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.8566 0.8451
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.3366 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.6981 0.5448
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2711 0.2126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2711 0.2426
Loa Loa (eye worm) hypothetical protein 0.0081 0.6981 0.6863
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.6981 0.5
Echinococcus granulosus glycogen phosphorylase 0.0105 1 1

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.
 
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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