Detailed information for compound 790633

Basic information

Technical information
  • TDR Targets ID: 790633
  • Name: 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(4-eth ylphenyl)piperidine-4-carboxamide
  • MW: 414.478 | Formula: C20H22N4O4S
  • H donors: 1 H acceptors: 5 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1non2
  • InChi: 1S/C20H22N4O4S/c1-2-14-6-8-16(9-7-14)21-20(25)15-10-12-24(13-11-15)29(26,27)18-5-3-4-17-19(18)23-28-22-17/h3-9,15H,2,10-13H2,1H3,(H,21,25)
  • InChiKey: VDLKKYRWZIVPSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(4-ethylphenyl)-4-piperidinecarboxamide
  • 1-benzofurazan-4-ylsulfonyl-N-(4-ethylphenyl)isonipecotamide

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
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.085 0.0823
Schistosoma mansoni cpg binding protein 0.0032 0.0374 0.0346
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0372 0.0343
Loa Loa (eye worm) hypothetical protein 0.007 0.1091 0.19
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0531 0.0924
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0675 0.1175
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0719 0.0692
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0719 0.1252
Brugia malayi RNA recognition motif domain containing protein 0.0203 0.3603 0.6272
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0719 0.0692
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.1011 0.176
Loa Loa (eye worm) hypothetical protein 0.0032 0.0382 0.0666
Echinococcus multilocularis GPCR, family 2 0.0032 0.0382 0.0354
Brugia malayi mbt repeat family protein 0.005 0.0719 0.1252
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.1717 0.1692
Giardia lamblia Kinase, PLK 0.0103 0.1717 1
Brugia malayi hypothetical protein 0.003 0.0346 0.0603
Brugia malayi mbt repeat family protein 0.005 0.0719 0.1252
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0083 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0382 0.0354
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Echinococcus multilocularis cpg binding protein 0.0032 0.0374 0.0346
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0083 0.0054
Loa Loa (eye worm) hypothetical protein 0.0316 0.5744 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0109 0.008
Loa Loa (eye worm) hypothetical protein 0.0032 0.0372 0.0647
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0719 0.0692
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0083 0.2197
Trypanosoma brucei polo-like protein kinase 0.0103 0.1717 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0346 0.0603
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.085 0.0823
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.1717 0.1692
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0372 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0342 0.0595
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0382 0.0354
Brugia malayi CXXC zinc finger family protein 0.003 0.0342 0.0595
Echinococcus multilocularis tar DNA binding protein 0.0203 0.3603 0.3584
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0607 0.0579
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Echinococcus granulosus cpg binding protein 0.0032 0.0374 0.0346
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.085 0.0823
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0531 0.0503
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0054
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0346 0.9318
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0719 0.0698
Schistosoma mansoni cpg binding protein 0.003 0.0342 0.0314
Schistosoma mansoni hypothetical protein 0.0032 0.0382 0.0354
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0675 0.0648
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.1717 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0719 0.0692
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0607 0.0579
Onchocerca volvulus 0.0316 0.5744 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.1738 0.1714
Schistosoma mansoni tar DNA-binding protein 0.0203 0.3603 0.3584
Schistosoma mansoni hypothetical protein 0.0541 1 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0719 0.0692
Brugia malayi jmjC domain containing protein 0.0104 0.1738 0.3026
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.1717 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0675 0.0648
Leishmania major hypothetical protein, conserved 0.003 0.0346 0.1611
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Brugia malayi jmjC domain containing protein 0.004 0.0531 0.0924
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0382 0.0666
Schistosoma mansoni hypothetical protein 0.0032 0.0382 0.0354
Brugia malayi Bromodomain containing protein 0.0032 0.0372 0.0647
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0083 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0675 0.0648
Schistosoma mansoni hypothetical protein 0.0032 0.0372 0.0343
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.1702 0.2964
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0054
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0382 0.0666
Plasmodium falciparum phd finger protein, putative 0.0032 0.0372 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0372 0.3749
Echinococcus multilocularis dnaJ subfamily B 0.043 0.7899 0.7892
Schistosoma mansoni hypothetical protein 0.007 0.1091 0.1065
Brugia malayi hypothetical protein 0.002 0.0143 0.0248
Echinococcus granulosus GPCR family 2 0.0032 0.0382 0.0354
Schistosoma mansoni hypothetical protein 0.0541 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0346 0.3421
Schistosoma mansoni tar DNA-binding protein 0.0203 0.3603 0.3584
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0054
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0142 0.0247
Loa Loa (eye worm) hypothetical protein 0.0102 0.1702 0.2964
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0346 0.1611
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.085 0.148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0675 0.0648
Onchocerca volvulus Alhambra homolog 0.0032 0.0372 0.0055
Brugia malayi RNA binding protein 0.0203 0.3603 0.6272
Schistosoma mansoni jumonji domain containing protein 0.0083 0.1334 0.1308
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0346 0.1611
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0852 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0498 0.047
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0203 0.3603 0.6272
Brugia malayi TAR-binding protein 0.0203 0.3603 0.6272
Echinococcus granulosus peregrin 0.0032 0.0372 0.0343
Echinococcus multilocularis geminin 0.0541 1 1
Loa Loa (eye worm) TAR-binding protein 0.0203 0.3603 0.6272
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.3506 0.3487
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0372 0.0647
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.1702 0.2964
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.085 0.0823
Schistosoma mansoni hypothetical protein 0.0032 0.0382 0.0354
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.1702 0.2964
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.1717 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0675 0.0648
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.1717 0.2989
Schistosoma mansoni tar DNA-binding protein 0.0203 0.3603 0.3584
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0382 0.0666
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0382 0.0354
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0372 0.3749
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0346 0.1611
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0675 0.1175
Schistosoma mansoni tar DNA-binding protein 0.0203 0.3603 0.3584
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.3506 0.3487
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0531 0.0503
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0346 0.9318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0675 0.0648
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0719 0.0692
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0372 0.0343
Schistosoma mansoni kinase 0.0052 0.076 0.0733
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0083 0.0054
Brugia malayi hypothetical protein 0.0316 0.5744 1
Onchocerca volvulus 0.005 0.0719 0.0698
Brugia malayi isocitrate dehydrogenase 0.0017 0.0083 0.0145
Loa Loa (eye worm) RNA binding protein 0.0203 0.3603 0.6272
Echinococcus multilocularis peregrin 0.0032 0.0372 0.0343
Loa Loa (eye worm) hypothetical protein 0.005 0.0719 0.1252
Schistosoma mansoni cpg binding protein 0.0032 0.0374 0.0346
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0083 0.0145
Schistosoma mansoni tar DNA-binding protein 0.0203 0.3603 0.3584
Schistosoma mansoni hypothetical protein 0.0305 0.5533 0.552
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0982 0.0955
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0382 0.0354
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.1717 0.2545
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.085 0.0823
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0083 0.0145
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0346 0.9318
Loa Loa (eye worm) MBCTL1 0.0057 0.085 0.148
Loa Loa (eye worm) hypothetical protein 0.0054 0.0801 0.1394
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0531 0.0503
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0083 0.2197
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0054
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1717 1
Schistosoma mansoni hypothetical protein 0.043 0.7899 0.7892
Loa Loa (eye worm) hypothetical protein 0.0057 0.085 0.148
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0372 0.0343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0675 0.0648
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.1717 0.1692
Schistosoma mansoni hypothetical protein 0.0032 0.0382 0.0354
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.1717 1
Echinococcus granulosus tar DNA binding protein 0.0203 0.3603 0.3584
Brugia malayi PHD-finger family protein 0.0032 0.0372 0.0647
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1091 0.19
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0719 0.0692
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.1738 0.1714
Echinococcus granulosus dnaJ subfamily B 0.043 0.7899 0.7892
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.1717 0.2989

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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