Detailed information for compound 1540101

Basic information

Technical information
  • TDR Targets ID: 1540101
  • Name: N-(2-ethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl ]sulfonylpiperidine-3-carboxamide
  • MW: 456.518 | Formula: C21H24N6O4S
  • H donors: 1 H acceptors: 6 LogP: 2.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)n1cnnn1
  • InChi: 1S/C21H24N6O4S/c1-2-31-20-8-4-3-7-19(20)23-21(28)16-6-5-13-26(14-16)32(29,30)18-11-9-17(10-12-18)27-15-22-24-25-27/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,23,28)
  • InChiKey: FWQJWZMDXFDUNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-ethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide
  • N-(2-ethoxyphenyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide
  • N-(2-ethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-nipecotamide
  • N-(2-ethoxyphenyl)-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide
  • ASN 05990755
  • Oprea1_611290

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
Loa Loa (eye worm) hypothetical protein 0.0048 0.2509 0.2509
Echinococcus granulosus smad 0.0008 0.0136 0.0386
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.353 0.353
Loa Loa (eye worm) hypothetical protein 0.0153 0.8717 0.8717
Schistosoma mansoni tar DNA-binding protein 0.0066 0.353 0.6041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.2509 0.2509
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.5844 0.5844
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Brugia malayi Latrophilin receptor protein 2 0.0048 0.2509 0.2509
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0006 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.2509 0.2509
Onchocerca volvulus 0.0009 0.0146 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0415
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0146 0.0251
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0136 0.0386
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Schistosoma mansoni Smad4 0.0008 0.0136 0.0233
Brugia malayi TAR-binding protein 0.0066 0.353 0.353
Loa Loa (eye worm) RNA binding protein 0.0066 0.353 0.353
Echinococcus granulosus tar DNA binding protein 0.0066 0.353 1
Brugia malayi Smad1 0.0008 0.0136 0.0136
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0415
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0251
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0146 0.0146
Loa Loa (eye worm) Smad1 0.0008 0.0136 0.0136
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.8717 0.8717
Brugia malayi MH2 domain containing protein 0.0124 0.6975 0.6975
Schistosoma mansoni hypothetical protein 0.0048 0.2509 0.4294
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni smad1 5 8 and 0.0008 0.0136 0.0233
Trypanosoma cruzi hypothetical protein 0.0006 0 0.5
Brugia malayi DIX domain containing protein 0.0009 0.0146 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0066 0.353 0.353
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.6975 0.6975
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0136 0.0136
Schistosoma mansoni hypothetical protein 0.0048 0.2509 0.4294
Schistosoma mansoni hypothetical protein 0.0105 0.5844 1
Brugia malayi RNA binding protein 0.0066 0.353 0.353
Echinococcus multilocularis tar DNA binding protein 0.0066 0.353 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Echinococcus multilocularis Smad4 0.0008 0.0136 0.0386
Brugia malayi MH1 domain containing protein 0.0008 0.0136 0.0136
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.8717 0.8717
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0146 0.0415
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0066 0.353 0.6041
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.353 0.6041
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0415
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0006 0 0.5
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0146 0.0251
Echinococcus granulosus Smad4 0.0008 0.0136 0.0386
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.2509 0.7108
Schistosoma mansoni smad 0.0008 0.0136 0.0233
Schistosoma mansoni tar DNA-binding protein 0.0066 0.353 0.6041
Brugia malayi MH1 domain containing protein 0.0008 0.0136 0.0136
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.353 0.353
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.2509 0.7108
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.2509 0.7108
Schistosoma mansoni dep domain containing protein 0.0009 0.0146 0.0251
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0136 0.0386
Trypanosoma cruzi hypothetical protein 0.0006 0 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.2509 0.4294
Entamoeba histolytica hypothetical protein 0.0006 0 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0415
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0146 0.0146
Schistosoma mansoni smad1 5 8 and 0.0008 0.0136 0.0233
Schistosoma mansoni tar DNA-binding protein 0.0066 0.353 0.6041
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0415
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0146 0.0251
Echinococcus multilocularis GPCR, family 2 0.0048 0.2509 0.7108
Loa Loa (eye worm) hypothetical protein 0.0175 1 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0136 0.0386
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0146 0.0415
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.2509 0.7108
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0415
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0136 0.0386
Schistosoma mansoni smad1 5 8 and 0.0008 0.0136 0.0233
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0415
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0415
Brugia malayi MH2 domain containing protein 0.0008 0.0136 0.0136
Echinococcus multilocularis smad 0.0008 0.0136 0.0386
Loa Loa (eye worm) hypothetical protein 0.0105 0.5844 0.5844
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.8717 0.8717
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0048 0.2509 0.4294
Brugia malayi MH2 domain containing protein 0.0008 0.0136 0.0136
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0146 0.0146
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0006 0 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.6975 0.6975
Echinococcus granulosus GPCR family 2 0.0048 0.2509 0.7108
Toxoplasma gondii hypothetical protein 0.0009 0.0146 0.5
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0251
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0136 0.0233

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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