Detailed information for compound 1344563

Basic information

Technical information
  • TDR Targets ID: 1344563
  • Name: N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulf onyl-2-oxochromene-6-carboxamide
  • MW: 447.503 | Formula: C25H21NO5S
  • H donors: 1 H acceptors: 4 LogP: 4.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)c1cc2cc(ccc2oc1=O)C(=O)Nc1ccc(cc1C)C
  • InChi: 1S/C25H21NO5S/c1-15-4-8-20(9-5-15)32(29,30)23-14-19-13-18(7-11-22(19)31-25(23)28)24(27)26-21-10-6-16(2)12-17(21)3/h4-14H,1-3H3,(H,26,27)
  • InChiKey: CXUQXBLYJFZECN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyl-2-oxo-chromene-6-carboxamide
  • N-(2,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyl-2-oxo-6-chromenecarboxamide
  • N-(2,4-dimethylphenyl)-2-keto-3-(4-methylphenyl)sulfonyl-chromene-6-carboxamide
  • C566-0662
  • NCGC00110354-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0004 0.0023
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0004 0.0025
Schistosoma mansoni cell polarity protein 0.0013 0.0014 0.0068
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0342 1
Echinococcus granulosus peripheral plasma membrane protein CASK 0.0013 0.0014 0.0074
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0293 0.3648 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0004 0.0012
Echinococcus multilocularis peripheral plasma membrane protein CASK 0.0013 0.0014 0.0014
Brugia malayi Peripheral plasma membrane protein CASK 0.0013 0.0014 0.0037
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.0222
Brugia malayi ZU5 domain containing protein 0.0013 0.0014 0.0037
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.1975 0.1975
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0004 0.0012
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1817 0.1817
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0004 0.0025
Brugia malayi guanylate kinase 0.0013 0.0014 0.0037
Echinococcus multilocularis high voltage activated calcium channel beta 0.0013 0.0014 0.0014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0004 0.0004
Brugia malayi ecdysteroid receptor 0.0012 0.0004 0.0012
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0004 0.0012
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0004 0.0004
Echinococcus granulosus guanylate kinase 0.0013 0.0014 0.0074
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0004 0.0023
Echinococcus multilocularis 0.0013 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0004 0.0012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0004 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0004 0.0012
Brugia malayi hypothetical protein 0.0013 0.0014 0.0037
Echinococcus granulosus disks large 3 0.0013 0.0014 0.0074
Giardia lamblia Guanylate kinase 0.0013 0.0014 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0377 0.2075
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0013 0.0014 0.0068
Echinococcus multilocularis guanylate kinase 0.0013 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.0102 0.028
Echinococcus granulosus guanylate kinase 0.0013 0.0014 0.0074
Schistosoma mansoni hypothetical protein 0.0033 0.0273 0.1382
Loa Loa (eye worm) hypothetical protein 0.0033 0.0273 0.0748
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0044 0.0241
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0426 0.2155
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0004 0.0012
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0044 0.0044
Echinococcus multilocularis MAGUK p55 subfamily 0.0013 0.0014 0.0014
Echinococcus multilocularis MAGUK p55 subfamily 0.0013 0.0014 0.0014
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0044 0.012
Echinococcus granulosus 55 kDa erythrocyte membrane protein 0.0013 0.0014 0.0074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0004 0.0025
Mycobacterium leprae Probable guanylate kinase Gmk (GMP kinase). 0.0013 0.0014 0.5
Echinococcus granulosus high voltage activated calcium channel beta 0.0142 0.1691 0.9308
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0004 0.0012
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0004 0.0025
Echinococcus granulosus disks large 1 0.0013 0.0014 0.0074
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0004 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0004 0.0012
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0342 1
Schistosoma mansoni hypothetical protein 0.0152 0.1817 0.9199
Schistosoma mansoni MAGUK homolog 0.0013 0.0014 0.0068
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.047 0.129
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0206 0.0563
Schistosoma mansoni high voltage-activated calcium channel beta subunit 1 0.0013 0.0014 0.0068
Loa Loa (eye worm) hypothetical protein 0.0036 0.0307 0.0841
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0426 0.2155
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Echinococcus multilocularis GPCR, family 2 0.0015 0.0044 0.0044
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0004 0.0004
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0004 0.0023
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0004 0.0012
Schistosoma mansoni ATP-dependent RNA Helicase 0.0013 0.0014 0.0068
Plasmodium vivax guanylate kinase, putative 0.0013 0.0014 0.5
Schistosoma mansoni MAGUK homolog 0.0013 0.0014 0.0068
Loa Loa (eye worm) guanylate kinase 0.0013 0.0014 0.0037
Echinococcus granulosus high voltage activated calcium channel beta 0.0013 0.0014 0.0074
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0142 0.1691 0.8563
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0004 0.0012
Plasmodium falciparum guanylate kinase 0.0013 0.0014 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0004 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0004 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0004 0.0012
Brugia malayi Guanylate kinase family protein 0.0013 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0037
Schistosoma mansoni maguk P55 subfamily member 26 0.0013 0.0014 0.0068
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0206 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0004 0.0012
Echinococcus multilocularis disks large 3 0.0013 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0012
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1817 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0004 0.0012
Brugia malayi steroid hormone receptor 0.0012 0.0004 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0004 0.0012
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0377 0.1033
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0004 0.0023
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0037
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0004 0.0023
Schistosoma mansoni maguk P55 subfamily member 26 0.0013 0.0014 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0004 0.0012
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0206 1
Loa Loa (eye worm) peripheral plasma membrane protein CASK 0.0013 0.0014 0.0037
Entamoeba histolytica guanylate kinase, putative 0.0013 0.0014 0.5
Schistosoma mansoni mannosidase endo-alpha 0.0013 0.0014 0.0068
Loa Loa (eye worm) hypothetical protein 0.0015 0.0044 0.012
Echinococcus granulosus GPCR family 2 0.0015 0.0044 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0004 0.0012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.047 0.129
Onchocerca volvulus 0.0013 0.0014 1
Brugia malayi Guanylate kinase family protein 0.0013 0.0014 0.0037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.047 0.129
Echinococcus granulosus MAGUK p55 subfamily 0.0013 0.0014 0.0074
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0013 0.0014 0.0037
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0013 0.0014 0.0074
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0206 1
Chlamydia trachomatis guanylate kinase 0.0013 0.0014 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0206 0.0563
Brugia malayi Cytochrome P450 family protein 0.0028 0.0206 0.0563
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0037
Toxoplasma gondii guanylate kinase family protein 0.0013 0.0014 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0004 0.0004
Schistosoma mansoni cell polarity protein 0.0013 0.0014 0.0068
Brugia malayi abnormal cell lineage protein 2 0.0013 0.0014 0.0037
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0044 0.012
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0004 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0004 0.0012
Loa Loa (eye worm) hypothetical protein 0.0048 0.047 0.129
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.0222
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0004 0.0025
Echinococcus multilocularis MAGUK p55 subfamily 0.0013 0.0014 0.0014
Echinococcus granulosus MAGUK p55 subfamily 0.0013 0.0014 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0164 0.1975 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0004 0.0023
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0004 0.0004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0004 0.0025
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.0293 0.3648 1
Brugia malayi Cytochrome P450 family protein 0.0028 0.0206 0.0563
Brugia malayi nuclear receptor NHR-88 0.0012 0.0004 0.0012
Echinococcus multilocularis 55 kDa erythrocyte membrane protein 0.0013 0.0014 0.0014
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0206 0.0563
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0206 1
Schistosoma mansoni guanylate kinase 0.0013 0.0014 0.0068
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0004 0.0004
Brugia malayi Guanylate kinase family protein 0.0013 0.0014 0.0037
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0004 0.0025
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.0222
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0004 0.0004
Loa Loa (eye worm) guanylate kinase 0.0013 0.0014 0.0037
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0004 0.0025
Brugia malayi nuclear hormone receptor 0.0012 0.0004 0.0012
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0273 0.0748
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0377 0.0377
Mycobacterium tuberculosis Probable guanylate kinase Gmk 0.0013 0.0014 0.5
Echinococcus multilocularis guanylate kinase 0.0013 0.0014 0.0014
Echinococcus granulosus MAGUK p55 subfamily 0.0013 0.0014 0.0074
Echinococcus multilocularis disks large 1 0.0013 0.0014 0.0014
Leishmania major cytochrome p450-like protein 0.0028 0.0206 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0004 0.0025
Schistosoma mansoni coup transcription factor 0.0012 0.0004 0.0023
Schistosoma mansoni thyroid hormone receptor 0.0164 0.1975 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0004 0.0023
Schistosoma mansoni hypothetical protein 0.0015 0.0044 0.0222
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0004 0.0023
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0377 0.1033
Echinococcus multilocularis high voltage activated calcium channel beta 0.0142 0.1691 0.1691
Schistosoma mansoni maguk P55 subfamily member 35 0.0013 0.0014 0.0068
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0004 0.0012
Wolbachia endosymbiont of Brugia malayi guanylate kinase 0.0013 0.0014 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0044 0.012
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0004 0.0012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0004 0.0012
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0004 0.0023
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0044 0.0241

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1778 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) 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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