Detailed information for compound 1616736

Basic information

Technical information
  • TDR Targets ID: 1616736
  • Name: 5-[3-(4-methoxyphenyl)prop-2-enylidene]-2-sul fanylidene-1,3-thiazolidin-4-one
  • MW: 277.362 | Formula: C13H11NO2S2
  • H donors: 1 H acceptors: 1 LogP: 3.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/C=C/1\SC(=S)NC1=O
  • InChi: 1S/C13H11NO2S2/c1-16-10-7-5-9(6-8-10)3-2-4-11-12(15)14-13(17)18-11/h2-8H,1H3,(H,14,15,17)/b3-2+,11-4-
  • InChiKey: DZJNBSVRWKLBRF-ICKRUQPGSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
  • 5-[3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxo-thiazolidin-4-one
  • (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxo-thiazolidin-4-one
  • 5-[3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxo-4-thiazolidinone
  • (5Z)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxo-4-thiazolidinone
  • ZINC01210137

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 ABC1 family protein 0.0032 0.0058 1
Onchocerca volvulus 0.0032 0.0058 0.0173
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0044 0.0255 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0195 0.2741 0.279
Onchocerca volvulus 0.0092 0.1039 0.3121
Plasmodium vivax acyl-CoA synthetase, putative 0.0033 0.0069 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0195 0.2741 0.279
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0092 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0195 0.2741 0.2741
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0195 0.2741 0.9558
Brugia malayi Nuclear hormone receptor E75 0.0092 0.1039 0.3624
Mycobacterium tuberculosis Conserved protein 0.0032 0.0058 0.0062
Echinococcus multilocularis microtubule associated protein 2 0.0622 0.9824 0.9824
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0092 0.1039 0.1039
Brugia malayi ecdysone receptor 0.0092 0.1039 0.3624
Echinococcus granulosus nuclear receptor nhr 48 0.0092 0.1039 0.1039
Schistosoma mansoni nuclear receptor 0.0092 0.1039 0.1058
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0092 0.1039 0.3624
Loa Loa (eye worm) nuclear hormone receptor 0.0092 0.1039 0.3624
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Plasmodium falciparum acyl-CoA synthetase 0.0033 0.0069 0.5
Schistosoma mansoni coup transcription factor 0.0195 0.2741 0.279
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0044 0.0255 0.0741
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0092 0.1039 0.3121
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0033 0.0069 0.0103
Schistosoma mansoni retinoic acid receptor RXR 0.0195 0.2741 0.279
Brugia malayi orphan nuclear receptor NR2E1 0.0092 0.1039 0.3624
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0201
Loa Loa (eye worm) hypothetical protein 0.0103 0.1221 0.426
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0195 0.2741 0.8231
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0201
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195 0.2741 0.9558
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0092 0.1039 0.1039
Brugia malayi hypothetical protein 0.0092 0.1039 0.3624
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0092 0.1039 0.3121
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0255 0.089
Schistosoma mansoni nuclear receptor nhr-48 0.0092 0.1039 0.1058
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0201
Brugia malayi nuclear receptor RXR 0.0092 0.1039 0.3624
Brugia malayi nuclear receptor NHR-67 0.0092 0.1039 0.3624
Schistosoma mansoni nuclear receptor 0.0092 0.1039 0.1058
Echinococcus multilocularis nuclear receptor nhr 48 0.0092 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Schistosoma mansoni thyroid hormone receptor 0.0195 0.2741 0.279
Loa Loa (eye worm) hypothetical protein 0.0103 0.1221 0.426
Onchocerca volvulus Protein ultraspiracle homolog 0.0195 0.2741 0.8231
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.1221 0.426
Brugia malayi nuclear receptor NHR-88 0.0092 0.1039 0.3624
Echinococcus multilocularis FTZ F1 alpha 0.0195 0.2741 0.2741
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0058 0.0059
Loa Loa (eye worm) hypothetical protein 0.0103 0.1221 0.426
Brugia malayi nuclear hormone receptor 0.0092 0.1039 0.3624
Echinococcus granulosus beta LACTamase domain containing family member 0.0032 0.0058 0.0058
Brugia malayi beta-lactamase family protein 0.0032 0.0058 0.0201
Trichomonas vaginalis set domain proteins, putative 0.023 0.333 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0195 0.2741 0.279
Mycobacterium tuberculosis Conserved protein 0.0032 0.0058 0.0062
Echinococcus granulosus FTZ F1 alpha 0.0195 0.2741 0.2741
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0044 0.0255 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0092 0.1039 0.3624
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0195 0.2741 0.279
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0195 0.2741 0.9558
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195 0.2741 0.9558
Entamoeba histolytica acyl-coA synthetase, putative 0.0044 0.0255 0.5
Echinococcus granulosus microtubule associated protein 2 0.0622 0.9824 0.9824
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Onchocerca volvulus 0.0044 0.0255 0.0766
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0255 0.089
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0255 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0103 0.1221 0.1243
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195 0.2741 0.2741
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0044 0.0255 0.089
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0044 0.0255 0.0741
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0255 0.089
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0044 0.0255 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195 0.2741 0.2741
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0195 0.2741 0.9558
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0058 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0032 0.0058 0.0062
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195 0.2741 0.2741
Loa Loa (eye worm) hypothetical protein 0.0103 0.1221 0.426
Brugia malayi nuclear receptor NHR-88 0.0195 0.2741 0.9558
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0207 0.2955 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0092 0.1039 0.1058
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0032 0.0058 0.0062
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0033 0.0069 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0195 0.2741 0.9558
Schistosoma mansoni nuclear hormone receptor 0.0092 0.1039 0.1058
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0195 0.2741 0.279
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0195 0.2741 0.2741
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0255 1
Brugia malayi nuclear hormone receptor 0.0195 0.2741 0.9558
Onchocerca volvulus 0.0032 0.0058 0.0173
Onchocerca volvulus 0.0032 0.0058 0.0173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0195 0.2741 0.9558
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195 0.2741 0.9558
Leishmania major 4-coumarate:coa ligase-like protein 0.0044 0.0255 1
Schistosoma mansoni RAR-like nuclear receptor 0.0195 0.2741 0.279
Mycobacterium tuberculosis Probable lipase LipE 0.0032 0.0058 0.0062
Schistosoma mansoni nuclear hormone receptor 0.0092 0.1039 0.1058
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0044 0.0255 1
Mycobacterium tuberculosis Probable lipase LipD 0.0032 0.0058 0.0062
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0044 0.0255 1
Onchocerca volvulus 0.0093 0.1054 0.3165
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Brugia malayi nuclear receptor RXR 0.0103 0.1221 0.426
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0103 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0044 0.0255 0.089
Onchocerca volvulus Bile acid receptor homolog 0.0195 0.2741 0.8231
Mycobacterium ulcerans hypothetical protein 0.0044 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195 0.2741 0.9558
Onchocerca volvulus 0.0092 0.1039 0.3121
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0058 0.5
Brugia malayi tailless protein 0.0092 0.1039 0.3624
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0092 0.1039 0.1058
Brugia malayi beta-lactamase 0.0032 0.0058 0.0201
Brugia malayi Nuclear hormone receptor E75 0.0092 0.1039 0.3624
Entamoeba histolytica acyl-CoA synthetase, putative 0.0044 0.0255 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0092 0.1039 0.1039
Echinococcus multilocularis thyroid hormone receptor alpha 0.0195 0.2741 0.2741
Entamoeba histolytica acyl-CoA synthetase, putative 0.0044 0.0255 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0032 0.0058 0.0062
Echinococcus multilocularis ecdysone induced protein 78C 0.0195 0.2741 0.2741
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0092 0.1039 0.3624
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0103 0.1221 0.1221
Schistosoma mansoni zinc finger protein 0.0092 0.1039 0.1058
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0195 0.2741 0.279
Loa Loa (eye worm) beta-lactamase 0.0032 0.0058 0.0201
Loa Loa (eye worm) hypothetical protein 0.0093 0.1054 0.3675
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0195 0.2741 0.9558
Schistosoma mansoni nuclear hormone receptor 0.0195 0.2741 0.279
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Echinococcus granulosus Nuclear hormone receptor HR96 0.0092 0.1039 0.1039
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0103 0.1221 0.1243
Mycobacterium tuberculosis Conserved protein 0.0032 0.0058 0.0062
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0195 0.2741 0.2741
Onchocerca volvulus 0.023 0.333 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0195 0.2741 0.9558
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0195 0.2741 0.2741
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0195 0.2741 0.9558
Schistosoma mansoni cellular tumor antigen P53 0.0093 0.1054 0.1073
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0195 0.2741 0.279
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0195 0.2741 0.9558
Brugia malayi nuclear hormone receptor family member nhr-6 0.0092 0.1039 0.3624
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0103 0.1221 0.426
Brugia malayi photoreceptor-specific nuclear receptor 0.0195 0.2741 0.9558
Echinococcus granulosus thyroid hormone receptor alpha 0.0092 0.1039 0.1039
Echinococcus multilocularis beta LACTamase domain containing family member 0.0032 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0242
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0195 0.2741 0.2741
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0032 0.0058 0.0062
Loa Loa (eye worm) DR-78 0.0092 0.1039 0.3624
Loa Loa (eye worm) hypothetical protein 0.0044 0.0255 0.089
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Schistosoma mansoni thyroid hormone receptor 0.0195 0.2741 0.279
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.1221 0.426
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2867 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0201
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0032 0.0058 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0195 0.2741 0.9558
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0092 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Brugia malayi ecdysteroid receptor 0.0195 0.2741 0.9558
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0058 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0195 0.2741 0.9558
Echinococcus granulosus ecdysone induced protein 78C 0.0195 0.2741 0.2741
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0201
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0195 0.2741 0.2741
Onchocerca volvulus 0.0195 0.2741 0.8231
Leishmania major 4-coumarate:coa ligase-like protein 0.0044 0.0255 1
Mycobacterium tuberculosis Probable hydrolase 0.0032 0.0058 0.0062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195 0.2741 0.2741
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Brugia malayi conserved hypotetical protein 0.0092 0.1039 0.3624
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0103 0.1221 0.426
Leishmania major 4-coumarate:coa ligase-like protein 0.0044 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0032 0.0058 0.0201
Brugia malayi hypothetical protein 0.0103 0.1221 0.426
Brugia malayi hypothetical protein 0.0092 0.1039 0.3624
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0032 0.0058 0.0201
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0195 0.2741 0.2741
Schistosoma mansoni microtubule-associated protein tau 0.0622 0.9824 1
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0058 0.8295
Brugia malayi steroid hormone receptor 0.0195 0.2741 0.9558
Brugia malayi Pre-SET motif family protein 0.0202 0.2867 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0195 0.2741 0.2741
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0195 0.2741 0.9558
Brugia malayi hypothetical protein 0.0103 0.1221 0.426
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0044 0.0255 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0058 0.0059
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0195 0.2741 0.9558
Echinococcus granulosus Nuclear hormone receptor HR96 0.0092 0.1039 0.1039
Loa Loa (eye worm) steroid hormone receptor 0.0195 0.2741 0.9558
Loa Loa (eye worm) hypothetical protein 0.0092 0.1039 0.3624
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0242
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0033 0.0069 0.0598
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.1039 0.1039
Brugia malayi beta-lactamase family protein 0.0032 0.0058 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195 0.2741 0.9558
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0195 0.2741 0.2741
Loa Loa (eye worm) nuclear receptor NHR-67 0.0092 0.1039 0.3624

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 20 % Inhibition of bovine plasma thrombin using Boc-Val-Pro-Arg-AMC as substrate at 25 uM preincubated for 15 mins measured after 10 mins by fluorimetric assay ChEMBL. 22077389

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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