Detailed information for compound 1422886

Basic information

Technical information
  • TDR Targets ID: 1422886
  • Name: 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl pyridin-2-yl)benzamide
  • MW: 381.448 | Formula: C20H19N3O3S
  • H donors: 2 H acceptors: 4 LogP: 3.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccnc(c1)NC(=O)c1cccc(c1)NS(=O)(=O)c1ccccc1C
  • InChi: 1S/C20H19N3O3S/c1-14-10-11-21-19(12-14)22-20(24)16-7-5-8-17(13-16)23-27(25,26)18-9-4-3-6-15(18)2/h3-13,23H,1-2H3,(H,21,22,24)
  • InChiKey: FZBKFYVIAWWRJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridyl)benzamide
  • MLS000540207
  • SMR000162418
  • 3-{[(2-methylphenyl)sulfonyl]amino}-N-(4-methyl-2-pyridinyl)benzamide
  • ZINC01006623
  • AN-652/43163128

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0391 0.6741 0.666
Trichomonas vaginalis glutaminase, putative 0.0563 1 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0048 0.0244 0.0244
Brugia malayi Latrophilin receptor protein 2 0.0096 0.1146 0.1146
Schistosoma mansoni tar DNA-binding protein 0.0391 0.6741 0.6741
Echinococcus granulosus GPCR family 2 0.0096 0.1146 0.17
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0244 0.0244
Brugia malayi latrophilin 2 splice variant baaae 0.0207 0.3254 0.3254
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0244 0.0361
Loa Loa (eye worm) hypothetical protein 0.0207 0.3254 0.3085
Brugia malayi Calcitonin receptor-like protein seb-1 0.0303 0.507 0.507
Brugia malayi RNA recognition motif domain containing protein 0.0391 0.6741 0.6741
Brugia malayi MH2 domain containing protein 0.0144 0.2062 0.2062
Echinococcus granulosus tar DNA binding protein 0.0391 0.6741 1
Loa Loa (eye worm) TAR-binding protein 0.0391 0.6741 0.666
Trypanosoma cruzi PAB1-binding protein , putative 0.0104 0.13 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0096 0.1146 0.17
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.0214 0.0317
Brugia malayi RNA binding protein 0.0391 0.6741 0.6741
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0096 0.1146 0.1146
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.0244 0.0361
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.0244 0.0361
Schistosoma mansoni hypothetical protein 0.0096 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.0104 0.13 0.1083
Schistosoma mansoni tar DNA-binding protein 0.0391 0.6741 0.6741
Mycobacterium ulcerans glutaminase 0.0563 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0104 0.13 1
Brugia malayi hypothetical protein 0.0104 0.13 0.13
Loa Loa (eye worm) hypothetical protein 0.0096 0.1146 0.0925
Schistosoma mansoni tar DNA-binding protein 0.0391 0.6741 0.6741
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2062 0.1864
Schistosoma mansoni hypothetical protein 0.0207 0.3254 0.3254
Plasmodium vivax ataxin-2 like protein, putative 0.0104 0.13 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.0244 0.5
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Brugia malayi isocitrate dehydrogenase 0.0048 0.0244 0.0244
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Loa Loa (eye worm) glutaminase 0.0563 1 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.6741 0.6741
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0303 0.507 0.507
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0096 0.1146 0.17
Loa Loa (eye worm) RNA binding protein 0.0391 0.6741 0.666
Echinococcus multilocularis tar DNA binding protein 0.0391 0.6741 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.6741 0.6741
Schistosoma mansoni hypothetical protein 0.0096 0.1146 0.1146
Loa Loa (eye worm) glutaminase 2 0.0563 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0104 0.13 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Schistosoma mansoni hypothetical protein 0.0096 0.1146 0.1146
Echinococcus multilocularis GPCR, family 2 0.0096 0.1146 0.17
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2062 0.1864
Schistosoma mansoni hypothetical protein 0.0047 0.0214 0.0214
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.0214 0.0317
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0244 0.0361
Brugia malayi TAR-binding protein 0.0391 0.6741 0.6741
Trypanosoma brucei PAB1-binding protein , putative 0.0104 0.13 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0096 0.1146 0.17
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0244 0.0361
Leishmania major hypothetical protein, conserved 0.0104 0.13 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0096 0.1146 0.0925
Loa Loa (eye worm) hypothetical protein 0.0303 0.507 0.4947
Schistosoma mansoni glutaminase 0.0563 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0303 0.507 0.4947
Brugia malayi hypothetical protein 0.0067 0.0602 0.0602
Toxoplasma gondii LsmAD domain-containing protein 0.0104 0.13 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.0244 0.0361
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0096 0.1146 0.17
Schistosoma mansoni hypothetical protein 0.0096 0.1146 0.1146
Trypanosoma cruzi PAB1-binding protein , putative 0.0104 0.13 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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