Detailed information for compound 1425991

Basic information

Technical information
  • TDR Targets ID: 1425991
  • Name: N-[5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo -2-sulfanylidene-1,3-thiazolidin-3-yl]-4-meth ylbenzenesulfonamide
  • MW: 450.552 | Formula: C19H18N2O5S3
  • H donors: 1 H acceptors: 3 LogP: 4.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C19H18N2O5S3/c1-12-4-8-15(9-5-12)29(23,24)20-21-18(22)17(28-19(21)27)10-13-6-7-14(25-2)11-16(13)26-3/h4-11,20H,1-3H3/b17-10-
  • InChiKey: VYEPPADCRNVTAZ-YVLHZVERSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
  • N-[5-[(2,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzenesulfonamide
  • N-[(5Z)-5-[(2,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzenesulfonamide
  • N-[5-[(2,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-4-methylbenzenesulfonamide
  • N-[(5Z)-5-[(2,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-4-methylbenzenesulfonamide
  • N-[5-(2,4-dimethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-benzenesulfonamide
  • N-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-benzenesulfonamide
  • N-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-benzenesulfonamide
  • N-[5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-benzenesulfonamide
  • ZINC02422875

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) Ulp1 protease 0.0028 0.0093 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.2222 0.2357
Loa Loa (eye worm) hypothetical protein 0.0107 1 1
Echinococcus multilocularis sentrin specific protease 1 0.01 0.9125 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.01 0.9125 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.087 0.3916
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.2222 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.2222 0.2357
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0028 0.0093 0.5
Loa Loa (eye worm) Ulp1 protease 0.0028 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0028 0.0093 0.0093
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.087 0.3916
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.2222 0.2357
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.087 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.8401 0.8401
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.087 0.3916
Loa Loa (eye worm) hypothetical protein 0.0034 0.0863 0.0863
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.087 0.086
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.2222 0.2357
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.01 0.9125 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.2222 1
Plasmodium vivax sentrin-specific protease 2, putative 0.0028 0.0093 0.0102
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.2222 0.2357
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0094 0.8401 0.8401
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0028 0.0093 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.087 0.086
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.2222 0.2357
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.01 0.9125 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0028 0.0093 0.0102
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0863 0.0863
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.087 0.0953
Loa Loa (eye worm) hypothetical protein 0.0028 0.0093 0.0093
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.01 0.9125 0.9125
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.2222 0.2357
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.087 0.086
Schistosoma mansoni hypothetical protein 0.0034 0.0863 0.0853
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 1 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.2222 0.2357
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.2222 0.2357
Plasmodium vivax sentrin-specific protease 1, putative 0.01 0.9125 1
Schistosoma mansoni hypothetical protein 0.0073 0.5771 0.6286
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.087 0.086
Schistosoma mansoni hypothetical protein 0.0034 0.0863 0.0853
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0863 0.0853
Brugia malayi hypothetical protein 0.0094 0.8401 0.8401
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0863 0.0853
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.087 0.086
Trypanosoma cruzi hypothetical protein 0.0028 0.0093 0.0418
Loa Loa (eye worm) hypothetical protein 0.01 0.9125 0.9125
Brugia malayi isocitrate dehydrogenase 0.0034 0.087 0.087
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.087 0.0953
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.2222 0.2357
Schistosoma mansoni hypothetical protein 0.0034 0.0863 0.0853
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0028 0.0093 0.0418
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.5771 0.5771
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0863 0.0863
Loa Loa (eye worm) hypothetical protein 0.0073 0.5771 0.5771
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.2222 0.2357
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0028 0.0093 0.0418
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.01 0.9125 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.087 0.086
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.2222 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0028 0.0093 0.0102
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0863 0.0853
Schistosoma mansoni eyes absent homolog 0.0094 0.8401 0.9198
Brugia malayi Isocitrate dehydrogenase 0.0034 0.087 0.087
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0863 0.0853
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.087 0.3916
Echinococcus granulosus sentrin specific protease 1 0.01 0.9125 1
Echinococcus multilocularis GPCR, family 2 0.0034 0.0863 0.0853
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.2222 0.2222
Onchocerca volvulus 0.0028 0.0093 0.5
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0045 0.2222 0.2222
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0028 0.0093 0.0418
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0863 0.0863
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0863 0.0853
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.01 0.9125 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.087 0.086
Trypanosoma brucei SUMO1/Ulp2, putative 0.0028 0.0093 0.0418
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0028 0.0093 0.0093
Echinococcus granulosus GPCR family 2 0.0034 0.0863 0.0853
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.2222 1
Plasmodium falciparum sentrin-specific protease 1 0.01 0.9125 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.087 0.0953
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.087 0.3916
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.087 0.0953
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.087 0.087
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.2222 0.2357
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.2222 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: Ub-rhodamine 110 based assay for inhibitors Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) 14.6892 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 21.3313 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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