Detailed information for compound 206263

Basic information

Technical information
  • TDR Targets ID: 206263
  • Name: N-[4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]e thyl]-2,5-dioxoimidazolidin-4-yl]methyl]pheny l]methanesulfonamide
  • MW: 469.557 | Formula: C23H27N5O4S
  • H donors: 4 H acceptors: 4 LogP: 1.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1c[nH]c2c1cc(CCN1C(=O)NC(C1=O)Cc1ccc(cc1)NS(=O)(=O)C)cc2
  • InChi: 1S/C23H27N5O4S/c1-33(31,32)27-18-5-2-15(3-6-18)13-21-22(29)28(23(30)26-21)11-9-16-4-7-20-19(12-16)17(8-10-24)14-25-20/h2-7,12,14,21,25,27H,8-11,13,24H2,1H3,(H,26,30)
  • InChiKey: GMECVPUOVDTBIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxo-imidazolidin-4-yl]methyl]phenyl]methanesulfonamide
  • N-[4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxo-4-imidazolidinyl]methyl]phenyl]methanesulfonamide
  • N-[4-[[1-[2-[3-(2-azanylethyl)-1H-indol-5-yl]ethyl]-2,5-dioxo-imidazolidin-4-yl]methyl]phenyl]methanesulfonamide
  • N-[4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-diketo-imidazolidin-4-yl]methyl]phenyl]methanesulfonamide

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
Echinococcus granulosus adenosine deaminase 0.009 0.2605 0.4479
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9388 0.9172
Treponema pallidum adenosine deaminase 0.009 0.2605 0.5
Trichomonas vaginalis glutaminase, putative 0.0272 1 1
Schistosoma mansoni adenosine deaminase 0.009 0.2605 0.259
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Schistosoma mansoni AMP deaminase 0.0029 0.0126 0.0106
Schistosoma mansoni hypothetical protein 0.0169 0.5791 0.5783
Echinococcus multilocularis geminin 0.0169 0.5791 1
Brugia malayi TAR-binding protein 0.0063 0.1493 0.1476
Loa Loa (eye worm) hypothetical protein 0.0061 0.1407 0.1407
Brugia malayi adenosine monophosphate deaminase 0.0029 0.0126 0.0106
Trypanosoma cruzi AMP deaminase, putative 0.0029 0.0126 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.1407 0.1407
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1493 0.2553
Echinococcus multilocularis adenosine deaminase 0.009 0.2605 0.4479
Trypanosoma cruzi AMP deaminase, putative 0.0029 0.0126 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Brugia malayi Adenosine/AMP deaminase family protein 0.009 0.2605 0.259
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9388 0.9172
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Loa Loa (eye worm) hypothetical protein 0.0061 0.1407 0.1407
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.009 0.2605 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1493 0.1476
Trypanosoma cruzi AMP deaminase, putative 0.0029 0.0126 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1387 0.137
Mycobacterium ulcerans glutaminase 0.0272 1 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0257 0.9388 0.9387
Trypanosoma brucei AMP deaminase, putative 0.0029 0.0126 0.5
Trypanosoma brucei AMP deaminase, putative 0.0029 0.0126 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1493 0.1476
Trypanosoma brucei AMP deaminase, putative 0.0029 0.0126 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0257 0.9388 0.9388
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9388 0.9172
Leishmania major adenine aminohydrolase 0.009 0.2605 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.1493 0.2553
Loa Loa (eye worm) glutaminase 0.0272 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.6161 0.4808
Loa Loa (eye worm) intermediate filament protein 0.0027 0.002 0.002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1493 0.1493
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0029 0.0126 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9388 0.9172
Trypanosoma cruzi AMP deaminase, putative 0.0029 0.0126 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1493 0.1476
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1493 0.1476
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1387 0.2369
Loa Loa (eye worm) RNA binding protein 0.0063 0.1493 0.1493
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.6161 0.4808
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.5791 0.4308
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.002
Echinococcus granulosus AMP deaminase 2 0.0029 0.0126 0.0183
Onchocerca volvulus Adenosine deaminase homolog 0.009 0.2605 0.4479
Plasmodium vivax adenosine deaminase, putative 0.009 0.2605 1
Loa Loa (eye worm) hypothetical protein 0.009 0.2605 0.2605
Echinococcus granulosus geminin 0.0169 0.5791 1
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0029 0.0126 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1387 0.2369
Trypanosoma cruzi AMP deaminase, putative 0.0029 0.0126 0.5
Schistosoma mansoni adenosine deaminase-related 0.009 0.2605 0.259
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1493 0.1493
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0029 0.0126 0.5
Entamoeba histolytica adenosine deaminase, putative 0.009 0.2605 1
Loa Loa (eye worm) glutaminase 2 0.0272 1 1
Loa Loa (eye worm) AMP deaminase 0.0029 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0169 0.5791 0.5783
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1493 0.1476
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1493 0.1476
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.009 0.2605 1
Onchocerca volvulus 0.0029 0.0126 0.0183
Trypanosoma cruzi AMP deaminase 2, putative 0.0029 0.0126 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0126 0.0126
Echinococcus multilocularis AMP deaminase 2 0.0029 0.0126 0.0183
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.009 0.2605 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1387 0.137
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1387 0.5088
Onchocerca volvulus Glucosylceramidase homolog 0.0169 0.5791 1
Mycobacterium ulcerans adenosine deaminase 0.009 0.2605 0.1414
Schistosoma mansoni glutaminase 0.0272 1 1
Entamoeba histolytica adenosine deaminase, putative 0.009 0.2605 1
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9388 0.9172
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.002 0.002
Plasmodium falciparum adenosine deaminase 0.009 0.2605 1
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9388 0.9172
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.009 0.2605 1
Brugia malayi RNA binding protein 0.0063 0.1493 0.1476
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1387 0.5088
Onchocerca volvulus AMP deaminase 2 homolog 0.0029 0.0126 0.0183
Loa Loa (eye worm) hypothetical protein 0.0061 0.1407 0.1407

Activities

Activity type Activity value Assay description Source Reference
Intrinsic activity (binding) = 0.8 The compound was tested for intrinsic activity against 5-HT1D receptor ChEMBL. 7658443
Intrinsic activity (binding) = 0.8 The compound was tested for intrinsic activity against 5-HT1D receptor ChEMBL. 7658443
p[A50] (binding) = 5.2 The compound was tested for binding affinity against 5-HT2A receptor ChEMBL. 7658443
p[A50] (binding) = 7.4 The compound was tested for binding affinity against 5-HT1D receptor ChEMBL. 7658443
p[A50] (binding) = 5.2 The compound was tested for binding affinity against 5-HT2A receptor ChEMBL. 7658443
p[A50] (binding) = 7.4 The compound was tested for binding affinity against 5-HT1D receptor ChEMBL. 7658443

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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