Detailed information for compound 1890316

Basic information

Technical information
  • TDR Targets ID: 1890316
  • Name: N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1- ylidene)amino]benzenesulfonamide
  • MW: 328.429 | Formula: C18H20N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)/CCC2
  • InChi: 1S/C18H20N2O2S/c1-13-11-14(2)16-9-6-10-18(17(16)12-13)19-20-23(21,22)15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3/b19-18+
  • InChiKey: NMIJDWGTSNPCJX-VHEBQXMUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(5,7-dimethyltetralin-1-ylidene)amino]benzenesulfonamide
  • N-[(5,7-dimethyl-1-tetralinylidene)amino]benzenesulfonamide
  • MLS000570643
  • SMR000150552
  • T5317525

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0572 0.0572
Schistosoma mansoni hypothetical protein 0.0043 0.9663 0.9663
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0572 0.0572
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0572 0.0572
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0572 0.0572
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.9663 0.9663
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 1 1
Onchocerca volvulus 0.0012 0.0572 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0572 0.0572
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0572 0.0572
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0572 0.0572
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0572 0.0572
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0572 0.0572
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0572 0.0572
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 1 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.864 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0572 0.0572
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0572 0.0572
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0572 0.0572
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0572 0.0572
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.9663 0.9663
Echinococcus multilocularis inositol monophosphatase 1 0.0045 1 1
Schistosoma mansoni inositol monophosphatase 0.0045 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0572 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0572 0.0572
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 1 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0572 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0572 0.0572
Loa Loa (eye worm) inositol-1 0.0045 1 1
Brugia malayi hypothetical protein 0.0043 0.9663 0.9643
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0572 0.0572
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0572 0.0572
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0572 0.0572
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.864 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0572 0.0572
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0572 0.0572
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0572 0.0572
Schistosoma mansoni coup transcription factor 0.0012 0.0572 0.0572
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 1 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0572 0.0572
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0572 0.0572
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0572 0.0572
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0572 0.0572
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0572 0.5
Schistosoma mansoni inositol monophosphatase 0.0045 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 1 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 1 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0572 0.0572
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0572 0.0572
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0572 0.0572
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0572 0.0572
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.9663 0.9663

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7308 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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