Detailed information for compound 880360

Basic information

Technical information
  • TDR Targets ID: 880360
  • Name: 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazoli din-3-yl]propanenitrile
  • MW: 292.353 | Formula: C14H16N2O3S
  • H donors: 0 H acceptors: 2 LogP: 1.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C1SCC(=O)N1CCC#N)OC
  • InChi: 1S/C14H16N2O3S/c1-18-10-4-5-12(19-2)11(8-10)14-16(7-3-6-15)13(17)9-20-14/h4-5,8,14H,3,7,9H2,1-2H3
  • InChiKey: XNZJWXSCVGBXDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(2,5-dimethoxyphenyl)-4-oxo-thiazolidin-3-yl]propanenitrile
  • 3-[2-(2,5-dimethoxyphenyl)-4-oxo-3-thiazolidinyl]propanenitrile
  • 3-[2-(2,5-dimethoxyphenyl)-4-keto-thiazolidin-3-yl]propionitrile
  • Oprea1_736439

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
Brugia malayi Cytochrome P450 family protein 0.0056 0.0742 0.0742
Loa Loa (eye worm) CYP4Cod1 0.0045 0.0533 0.0533
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0201 0.3607 0.3607
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.006 0.0824 0.0824
Loa Loa (eye worm) flavodoxin family protein 0.0201 0.3607 0.3607
Mycobacterium ulcerans flavodoxin reductase Hmp 0.006 0.0824 0.0824
Echinococcus multilocularis methionine synthase reductase 0.0325 0.604 0.604
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Loa Loa (eye worm) cytochrome b5 reductase 4 0.006 0.0824 0.0824
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0201 0.3607 0.3403
Loa Loa (eye worm) FAD binding domain-containing protein 0.0325 0.604 0.604
Schistosoma mansoni cytochrome P450 reductase 0.0526 1 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Leishmania major NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi oxidoreductase-protein, putative 0.006 0.0824 0.0824
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0201 0.3607 0.3033
Plasmodium falciparum nitric oxide synthase, putative 0.0526 1 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Entamoeba histolytica type A flavoprotein, putative 0.0201 0.3607 0.5
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0201 0.3607 0.3403
Brugia malayi flavodoxin family protein 0.0201 0.3607 0.3607
Echinococcus granulosus cytochrome b5 reductase 4 0.006 0.0824 0.0824
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Entamoeba histolytica type A flavoprotein, putative 0.0201 0.3607 0.5
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Mycobacterium tuberculosis Probable oxidoreductase 0.006 0.0824 1
Trypanosoma brucei cytochrome P450, putative 0.0045 0.0533 0.0533
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Mycobacterium ulcerans electron transfer protein FdxB 0.006 0.0824 0.0824
Trypanosoma cruzi nitrate reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.006 0.0824 0.0824
Brugia malayi FAD binding domain containing protein 0.0325 0.604 0.604
Trypanosoma brucei nitrate reductase, putative 0.006 0.0824 0.0824
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.006 0.0824 0.1722
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Leishmania major cytochrome P450 reductase, putative 0.0466 0.8823 0.8823
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0325 0.604 0.604
Toxoplasma gondii flavodoxin domain-containing protein 0.0261 0.4784 1
Echinococcus granulosus methionine synthase reductase 0.0325 0.604 0.604
Leishmania major NADH-dependent fumarate reductase-like protein 0.006 0.0824 0.0824
Leishmania major NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0201 0.3607 0.3607
Trypanosoma cruzi oxidoreductase-like protein, putative 0.006 0.0824 0.0824
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0526 1 1
Trypanosoma brucei oxidoreductase-protein, putative 0.006 0.0824 0.0824
Loa Loa (eye worm) hypothetical protein 0.0027 0.018 0.018
Mycobacterium leprae Conserved hypothetical protein 0.0018 0 0.5
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.006 0.0824 0.0824
Brugia malayi Cytochrome P450 family protein 0.0045 0.0533 0.0533
Leishmania major cytochrome-b5 reductase, putative 0.006 0.0824 0.0824
Entamoeba histolytica type A flavoprotein, putative 0.0201 0.3607 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0526 1 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Mycobacterium leprae putative cytochrome p450 0.0018 0 0.5
Treponema pallidum flavodoxin 0.0201 0.3607 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.006 0.0824 0.0824
Plasmodium vivax flavodoxin domain containing protein 0.0466 0.8823 0.8717
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0201 0.3607 0.3607
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0045 0.0533 0.0533
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.006 0.0824 0.1722
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0356 0.0356
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0526 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0526 1 1
Giardia lamblia Hypothetical protein 0.0466 0.8823 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0526 1 1
Mycobacterium ulcerans oxygenase 0.006 0.0824 0.0824
Loa Loa (eye worm) hypothetical protein 0.0031 0.0262 0.0262
Trichomonas vaginalis sulfite reductase, putative 0.0526 1 1
Leishmania major NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0526 1 1
Mycobacterium ulcerans monooxygenase 0.006 0.0824 0.0824
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Leishmania major reductase, putative 0.006 0.0824 0.0824
Leishmania major NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0201 0.3607 0.3403
Schistosoma mansoni cytochrome B5 0.006 0.0824 0.0824
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.006 0.0824 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0356 0.0356
Brugia malayi FAD binding domain containing protein 0.0526 1 1
Schistosoma mansoni diflavin oxidoreductase 0.0261 0.4784 0.4784
Toxoplasma gondii flavodoxin domain-containing protein 0.0261 0.4784 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0466 0.8823 0.8785
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0526 1 1
Schistosoma mansoni NADH-cytochrome B5 reductase 0.006 0.0824 0.0824
Brugia malayi Cytochrome P450 family protein 0.0045 0.0533 0.0533
Plasmodium vivax hypothetical protein, conserved 0.0201 0.3607 0.3033
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0201 0.3607 0.3607
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Leishmania major cytochrome-b5 reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0526 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0742 0.0742
Brugia malayi diaphorase 0.006 0.0824 0.0824
Giardia lamblia Nitric oxide synthase, inducible 0.0466 0.8823 1
Mycobacterium tuberculosis Possible oxygenase 0.006 0.0824 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0533 0.0533
Mycobacterium ulcerans oxidoreductase 0.006 0.0824 0.0824
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0421 0.0421
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.006 0.0824 0.0824
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0526 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0533 0.0533
Loa Loa (eye worm) diaphorase 0.006 0.0824 0.0824
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Leishmania major oxidoreductase-like protein 0.006 0.0824 0.0824
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0526 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0526 1 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Trypanosoma cruzi reductase, putative 0.006 0.0824 0.0824
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0201 0.3607 0.3033
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0526 1 1
Mycobacterium ulcerans flavodoxin oxidoreductase 0.006 0.0824 0.0824
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.006 0.0824 0.0824
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0201 0.3607 0.3403
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.006 0.0824 0.0824
Chlamydia trachomatis sulfite reductase 0.0325 0.604 1
Leishmania major hypothetical protein, conserved 0.0201 0.3607 0.3607
Leishmania major nitrate reductase, putative 0.006 0.0824 0.0824
Onchocerca volvulus 0.006 0.0824 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0201 0.3607 0.5
Leishmania major p450 reductase, putative 0.0526 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0201 0.3607 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0421 0.0421
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.006 0.0824 0.0824
Trypanosoma cruzi p450 reductase, putative 0.006 0.0824 0.0824
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0356 0.0356
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Mycobacterium tuberculosis Probable monooxygenase 0.006 0.0824 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0526 1 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824
Echinococcus multilocularis cytochrome b5 reductase 4 0.006 0.0824 0.0824
Trypanosoma cruzi p450 reductase, putative 0.0526 1 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.006 0.0824 0.0824
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0526 1 1
Leishmania major cytochrome p450-like protein 0.0045 0.0533 0.0533
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0526 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0533 0.0533
Echinococcus granulosus cytochrome b5 reductase 4 0.006 0.0824 0.0824
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.006 0.0824 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0356 0.0356
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0526 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0265 0.4863 0.4863
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.006 0.0824 0.0824

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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