Detailed information for compound 1528909

Basic information

Technical information
  • TDR Targets ID: 1528909
  • Name: N,N-dimethyl-4-pyrrol-1-ylbenzenesulfonamide
  • MW: 250.317 | Formula: C12H14N2O2S
  • H donors: 0 H acceptors: 2 LogP: 1.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(S(=O)(=O)c1ccc(cc1)n1cccc1)C
  • InChi: 1S/C12H14N2O2S/c1-13(2)17(15,16)12-7-5-11(6-8-12)14-9-3-4-10-14/h3-10H,1-2H3
  • InChiKey: YQXJLLSJWIMNFV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-dimethyl-4-pyrrol-1-yl-benzenesulfonamide
  • N,N-dimethyl-4-(1-pyrrolyl)benzenesulfonamide
  • ZINC01382054
  • 2K-083
  • Oprea1_538352
  • MLS000755478
  • N,N-dimethyl-4-(1H-pyrrol-1-yl)benzenesulfonamide
  • SMR000337866

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0089 1 1
Loa Loa (eye worm) brahma associated protein 0.0089 1 1
Schistosoma mansoni RNA binding protein 0.0032 0.1811 0.1811
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0089 1 1
Schistosoma mansoni hypothetical protein 0.0032 0.1811 0.1811
Schistosoma mansoni hypothetical protein 0.0089 1 1
Schistosoma mansoni brg-1 associated factor 0.0089 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0089 1 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0089 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1811 0.1811
Toxoplasma gondii ran binding protein 0.0032 0.1811 0.1811
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0032 0.1811 1
Schistosoma mansoni hypothetical protein 0.0089 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0032 0.1811 0.1811
Echinococcus multilocularis zinc finger protein Ran binding 0.0032 0.1811 0.1811
Leishmania major hypothetical protein, conserved 0.0032 0.1811 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0032 0.1811 0.1811
Echinococcus granulosus ring and YY1 binding protein 0.0032 0.1811 0.1811
Echinococcus multilocularis SWI:SNF matrix associated 0.0089 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0032 0.1811 0.1811
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.1811 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0032 0.1811 0.1811
Brugia malayi brahma associated protein 60 kDa 0.0089 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0032 0.1811 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0032 0.1811 0.1811
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0032 0.1811 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0032 0.1811 0.1811
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0089 1 1
Plasmodium vivax hypothetical protein, conserved 0.0089 1 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0032 0.1811 0.1811
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0032 0.1811 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0089 1 1
Leishmania major hypothetical protein, conserved 0.0032 0.1811 1
Leishmania major hypothetical protein, conserved 0.0032 0.1811 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1811 0.1811
Schistosoma mansoni hypothetical protein 0.0089 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0032 0.1811 1
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.1811 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0089 1 1
Chlamydia trachomatis SWIB complex protein 0.0089 1 0.5
Onchocerca volvulus 0.0089 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.1811 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0089 1 1
Schistosoma mansoni TRABID protein (C64 family) 0.0032 0.1811 0.1811
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0032 0.1811 0.1811
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0089 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0089 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0089 1 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0032 0.1811 0.1811
Leishmania major hypothetical protein, conserved 0.0032 0.1811 1
Trichomonas vaginalis conserved hypothetical protein 0.0089 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0089 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0032 0.1811 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1811 0.1811
Trypanosoma cruzi WLM domain containing protein, putative 0.0032 0.1811 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1811 0.1811
Brugia malayi YY1-associated factor 2 0.0032 0.1811 0.1811
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0032 0.1811 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0032 0.1811 0.1811
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.1811 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0089 1 1
Echinococcus granulosus zinc finger protein Ran binding 0.0032 0.1811 0.1811
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0032 0.1811 1
Schistosoma mansoni zinc finger protein 0.0032 0.1811 0.1811
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.1811 1
Leishmania major hypothetical protein, conserved 0.0032 0.1811 1
Schistosoma mansoni fusion 0.0032 0.1811 0.1811
Echinococcus multilocularis ring and YY1 binding protein 0.0032 0.1811 0.1811
Loa Loa (eye worm) hypothetical protein 0.0032 0.1811 0.1811

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6626 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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