Detailed information for compound 1438672

Basic information

Technical information
  • TDR Targets ID: 1438672
  • Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-1H-py ridine-3-carboxamide
  • MW: 375.442 | Formula: C18H21N3O4S
  • H donors: 2 H acceptors: 5 LogP: 2.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cn1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
  • InChi: 1S/C18H21N3O4S/c22-17-9-8-14(13-19-17)18(23)20-15-6-5-7-16(12-15)26(24,25)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11H2,(H,19,22)(H,20,23)
  • InChiKey: NNVOWOBDPLMXSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(1-azepanylsulfonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
  • N-[3-(azepan-1-ylsulfonyl)phenyl]-6-keto-1H-pyridine-3-carboxamide
  • ZINC06651265
  • T5408473

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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 Flap endonuclease-1 0.0026 0.0055 0.0063
Brugia malayi nuclear receptor NHR-67 0.0041 0.0178 0.0205
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0041 0.0178 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0087 0.0561 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0087 0.0561 0.0647
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1058 0.8683 1
Brugia malayi hypothetical protein 0.0046 0.0219 0.0252
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0369 0.0336
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.009 0.0041
Leishmania major DNA polymerase eta, putative 0.0045 0.0212 0.0183
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0087 0.0561 0.0587
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0087 0.0561 0.0529
Schistosoma mansoni hypothetical protein 0.0171 0.1262 0.1232
Echinococcus granulosus thyroid hormone receptor alpha 0.0041 0.0178 0.0124
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0178 0.0145
Loa Loa (eye worm) hypothetical protein 0.0046 0.0219 0.019
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0087 0.0561 0.0509
Echinococcus granulosus Nuclear hormone receptor HR96 0.0041 0.0178 0.0124
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0087 0.0561 0.0509
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0087 0.0561 0.0509
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1058 0.8683 0.8679
Schistosoma mansoni coup transcription factor 0.0087 0.0561 0.0529
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0046 0.0219 0.019
Echinococcus multilocularis FTZ F1 alpha 0.0087 0.0561 0.053
Schistosoma mansoni nuclear receptor nhr-48 0.0041 0.0178 0.0145
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0221 0.0187
Loa Loa (eye worm) DR-78 0.0041 0.0178 0.0143
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0087 0.0561 0.0587
Schistosoma mansoni hypothetical protein 0.0171 0.1262 0.1232
Brugia malayi tailless protein 0.0041 0.0178 0.0205
Entamoeba histolytica hypothetical protein 0.0036 0.0138 0.0097
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0178 0.0124
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1058 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0046 0.0219 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0087 0.0561 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0087 0.0561 0.0647
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0087 0.0561 0.0509
Schistosoma mansoni hypothetical protein 0.0036 0.0138 0.0105
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0055 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0041 0.0178 0.0205
Brugia malayi nuclear hormone receptor family member nhr-6 0.0041 0.0178 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0087 0.0561 0.0647
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.009 0.0041
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.009 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.0369 0.0364
Brugia malayi nuclear hormone receptor 0.0087 0.0561 0.0647
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0221 0.0187
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1058 0.8683 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0087 0.0561 0.0587
Schistosoma mansoni nuclear receptor 0.0041 0.0178 0.0145
Loa Loa (eye worm) steroid hormone receptor 0.0087 0.0561 0.0587
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1058 0.8683 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.009 0.0041
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Echinococcus multilocularis dna polymerase eta 0.0045 0.0212 0.0165
Onchocerca volvulus Protein ultraspiracle homolog 0.0087 0.0561 1
Schistosoma mansoni DNA polymerase eta 0.0045 0.0212 0.0179
Schistosoma mansoni thyroid hormone receptor 0.0087 0.0561 0.0529
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0369 0.0328
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0087 0.0561 0.0529
Schistosoma mansoni RAR-like nuclear receptor 0.0087 0.0561 0.0529
Echinococcus granulosus geminin 0.0171 0.1262 0.1213
Echinococcus granulosus FTZ F1 alpha 0.0087 0.0561 0.0509
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0178 0.0145
Brugia malayi hypothetical protein 0.0046 0.0219 0.0252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0221 0.0187
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0369 0.0364
Echinococcus granulosus ecdysone induced protein 78C 0.0087 0.0561 0.0509
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0087 0.0561 0.053
Brugia malayi Nuclear hormone receptor E75 0.0041 0.0178 0.0205
Brugia malayi hypothetical protein 0.0041 0.0178 0.0205
Brugia malayi TAR-binding protein 0.0064 0.0369 0.0425
Schistosoma mansoni steroid hormone receptor ad4bp 0.0087 0.0561 0.0529
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0087 0.0561 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0219 0.019
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.01 0.0053
Brugia malayi photoreceptor-specific nuclear receptor 0.0087 0.0561 0.0647
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0087 0.0561 0.053
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0041 0.0178 0.0129
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1058 0.8683 0.8676
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.009 1
Echinococcus multilocularis geminin 0.0171 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0041 0.0178 0.0129
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.009 0.7758
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0087 0.0561 0.0587
Brugia malayi RNA binding protein 0.0064 0.0369 0.0425
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1058 0.8683 0.9024
Schistosoma mansoni retinoic acid receptor RXR 0.1216 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Entamoeba histolytica hypothetical protein 0.0036 0.0138 0.0097
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0046 0.0219 0.0186
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0087 0.0561 0.0529
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0087 0.0561 0.0529
Brugia malayi nuclear receptor RXR 0.0041 0.0178 0.0205
Brugia malayi Nuclear hormone receptor E75 0.0041 0.0178 0.0205
Echinococcus granulosus Nuclear hormone receptor HR96 0.0041 0.0178 0.0124
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0041 0.0178 0.0145
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0087 0.0561 0.0647
Brugia malayi nuclear receptor NHR-88 0.0087 0.0561 0.0647
Loa Loa (eye worm) hypothetical protein 0.0046 0.0219 0.019
Echinococcus multilocularis transcription factor Dp 1 0.0612 0.4957 0.5127
Brugia malayi hypothetical protein 0.0041 0.0178 0.0205
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.01 1
Brugia malayi hypothetical protein 0.003 0.009 0.0104
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0087 0.0561 0.0647
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0369 0.0336
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Schistosoma mansoni zinc finger protein 0.0041 0.0178 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0087 0.0561 0.0647
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1058 0.8683 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.117 0.9617 1
Brugia malayi Steroid receptor seven-up type 2 0.0087 0.0561 0.0647
Brugia malayi steroid hormone receptor 0.0087 0.0561 0.0647
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0087 0.0561 0.0509
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0087 0.0561 0.0587
Schistosoma mansoni nuclear hormone receptor 0.0087 0.0561 0.0529
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0219 0.0252
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0369 0.0336
Loa Loa (eye worm) hypothetical protein 0.0046 0.0219 0.019
Echinococcus multilocularis nuclear receptor nhr 48 0.0041 0.0178 0.0129
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0221 0.0173
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0369 0.0364
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0212 0.0183
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0138 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0087 0.0561 0.0587
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0041 0.0178 0.0124
Brugia malayi nuclear receptor RXR 0.0046 0.0219 0.0252
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0221 0.0192
Loa Loa (eye worm) nuclear hormone receptor 0.0041 0.0178 0.0143
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0138 0.0105
Brugia malayi hypothetical protein 0.0036 0.0138 0.0159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0178 0.0129
Echinococcus granulosus nuclear receptor nhr 48 0.0041 0.0178 0.0124
Brugia malayi orphan nuclear receptor NR2E1 0.0041 0.0178 0.0205
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0087 0.0561 0.053
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0219 0.0252
Brugia malayi nuclear hormone receptor 0.0041 0.0178 0.0205
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Echinococcus multilocularis thyroid hormone receptor alpha 0.0087 0.0561 0.053
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0138 0.0087
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Echinococcus granulosus tar DNA binding protein 0.0064 0.0369 0.0316
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1058 0.8683 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0087 0.0561 0.0587
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1058 0.8683 1
Brugia malayi conserved hypotetical protein 0.0041 0.0178 0.0205
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0212 0.0245
Entamoeba histolytica hypothetical protein 0.0036 0.0138 0.0097
Brugia malayi nuclear hormone receptor family member odr-7 0.0041 0.0178 0.0205
Entamoeba histolytica hypothetical protein 0.0036 0.0138 0.0097
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0087 0.0561 0.0647
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0087 0.0561 0.0509
Brugia malayi nuclear receptor NHR-88 0.0041 0.0178 0.0205
Loa Loa (eye worm) hypothetical protein 0.003 0.009 0.0041
Loa Loa (eye worm) nuclear receptor NHR-67 0.0041 0.0178 0.0143
Echinococcus multilocularis ecdysone induced protein 78C 0.0087 0.0561 0.053
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0221 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0087 0.0561 0.0647
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0041 0.0178 0.0143
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Loa Loa (eye worm) hypothetical protein 0.0046 0.0219 0.019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0369 0.0336
Schistosoma mansoni thyroid hormone receptor 0.0087 0.0561 0.0529
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0087 0.0561 0.0647
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0221 0.0167
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0369 0.0425
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0212 0.0183
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0221 0.0254
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0087 0.0561 0.0647
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0369 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0087 0.0561 0.0647
Loa Loa (eye worm) hypothetical protein 0.0087 0.0561 0.0587
Brugia malayi Nuclear hormone receptor-like 1 0.0087 0.0561 0.0647
Echinococcus granulosus transcription factor Dp 1 0.0612 0.4957 0.4929
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0087 0.0561 0.053
Leishmania major hypothetical protein, conserved 0.003 0.009 0.0041
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.009 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0087 0.0561 0.053
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0046 0.0219 0.0165
Brugia malayi ecdysteroid receptor 0.0087 0.0561 0.0647
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0221 0.0167
Onchocerca volvulus 0.0087 0.0561 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0041 0.0178 0.0145
Onchocerca volvulus Bile acid receptor homolog 0.0087 0.0561 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0087 0.0561 0.0529
Echinococcus granulosus dna polymerase eta 0.0045 0.0212 0.0158
Schistosoma mansoni nuclear receptor 0.0041 0.0178 0.0145
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0087 0.0561 0.053
Loa Loa (eye worm) hypothetical protein 0.0045 0.0212 0.0183
Brugia malayi ecdysone receptor 0.0041 0.0178 0.0205
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0219 0.0186
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0087 0.0561 0.0529
Leishmania major DNA polymerase eta, putative 0.0032 0.01 0.0053

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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