Detailed information for compound 22875

Basic information

Technical information
  • TDR Targets ID: 22875
  • Name: 5-hydroxy-1-methyl-N-phenylindole-2-carboxami de
  • MW: 266.295 | Formula: C16H14N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)cc(n2C)C(=O)Nc1ccccc1
  • InChi: 1S/C16H14N2O2/c1-18-14-8-7-13(19)9-11(14)10-15(18)16(20)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,20)
  • InChiKey: UWOCNEAFZUFSIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-hydroxy-1-methyl-N-phenyl-indole-2-carboxamide
  • 5-hydroxy-1-methyl-N-phenyl-2-indolecarboxamide

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
Brugia malayi isocitrate dehydrogenase 0.0016 0.0689 0.0689
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0689 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0057 0.4347 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0057 0.4347 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.338 0.7777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.338 0.7777
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0689 0.1585
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.2503 0.5758
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0057 0.4347 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0057 0.4347 1
Schistosoma mansoni hypothetical protein 0.0036 0.2503 0.5758
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0689 0.1585
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0057 0.4347 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.338 0.338
Schistosoma mansoni hypothetical protein 0.0057 0.4347 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0689 0.1585
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.4347 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.338 0.7777
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0689 0.0689
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0689 0.1585
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.338 0.7777
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.338 0.338
Loa Loa (eye worm) transcription factor SMAD2 0.012 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0689 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0689 0.1585
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0689 0.1585
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0689 0.0689
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0057 0.4347 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0689 0.5
Giardia lamblia Rrm3p helicase 0.0057 0.4347 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0689 0.1585
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.338 0.7777
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0689 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0057 0.4347 1
Entamoeba histolytica hypothetical protein, conserved 0.0057 0.4347 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0057 0.4347 1
Brugia malayi hypothetical protein 0.0036 0.2503 0.2503
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.338 0.7777
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0057 0.4347 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.338 0.7777
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0689 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.2503 0.5758
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.2503 0.5758
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0057 0.4347 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.0000009 M Tested for inhibition of copper induced lipid peroxidation in human low density lipoproteins(LDL) ChEMBL. 9111294
Ratio (functional) = 3.3 Activity ratio versus Probucol in lipid peroxidation ChEMBL. 9111294

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

1 literature reference was collected for this gene.

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