Detailed information for compound 2014653

Basic information

Technical information
  • TDR Targets ID: 2014653
  • Name: [1-(4-methoxyphenyl)propan-2-ylideneamino]thi ourea
  • MW: 237.321 | Formula: C11H15N3OS
  • H donors: 2 H acceptors: 0 LogP: 1.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C/C(=N/NC(=S)N)/C
  • InChi: 1S/C11H15N3OS/c1-8(13-14-11(12)16)7-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H3,12,14,16)/b13-8+
  • InChiKey: DFAFQDRMJFXEKJ-MDWZMJQESA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[2-(4-methoxyphenyl)-1-methyl-ethylidene]amino]thiourea
  • [[2-(4-methoxyphenyl)-1-methylethylidene]amino]thiourea

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
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0434 1 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.1676
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0123 0.2036 0.1043
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0087 0.1108 0.1144
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0434 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.1438
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0434 1 1
Plasmodium falciparum plasmepsin II 0.0064 0.0513 0.0451
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0137 0.2387 0.2189
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0137 0.2387 0.2337
Onchocerca volvulus 0.0111 0.1722 0.5
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0434 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1108 0.0877
Leishmania major p450 reductase, putative 0.0087 0.1108 0.0278
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0137 0.2387 0.2337
Brugia malayi Common central domain of tyrosinase family protein 0.0111 0.1722 0.1506
Onchocerca volvulus 0.0111 0.1722 0.5
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0434 1 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0064 0.0513 0.0266
Loa Loa (eye worm) hypothetical protein 0.0111 0.1722 0.1506
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0054 0.0254 0.0254
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0087 0.1108 0.0877
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0434 1 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0402 0.9179 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0434 1 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.1676
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.1722 0.1506
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0402 0.9179 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0513 0.0513
Brugia malayi ribonucleotide reductase 2 0.0137 0.2387 0.2189
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.2869 0.2869
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0137 0.2387 0.1976
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0087 0.1108 0.0877
Plasmodium falciparum plasmepsin IV 0.0064 0.0513 0.0451
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0087 0.1108 0.105
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0087 0.1108 0.105
Plasmodium falciparum plasmepsin VI 0.0064 0.0513 0.0451
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.1722 0.1506
Onchocerca volvulus 0.0111 0.1722 0.5
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0402 0.9179 1
Brugia malayi flavodoxin family protein 0.0087 0.1108 0.0877
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0064 0.0513 0.0266
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0087 0.1108 0.0278
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0087 0.1108 0.0877
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0064 0.0513 0.0266
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.2869 0.2869
Giardia lamblia Hypothetical protein 0.0077 0.0854 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 0.1722 0.1506
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0434 1 1
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.2337
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 0.1722 0.1506
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0434 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0087 0.1108 0.105
Plasmodium falciparum nitric oxide synthase, putative 0.0087 0.1108 0.105
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0137 0.2387 0.2189
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0434 1 1
Schistosoma mansoni tyrosinase precursor 0.0111 0.1722 0.1722
Plasmodium vivax plasmepsin IV, putative 0.0064 0.0513 0.0451
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0137 0.2387 0.2189
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0434 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0087 0.1108 0.0687
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0137 0.2387 0.2387
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0137 0.2387 0.2337
Onchocerca volvulus 0.0111 0.1722 0.5
Schistosoma mansoni cytochrome P450 reductase 0.0087 0.1108 0.1108
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0402 0.9179 1
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0434 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0087 0.1108 0.0877
Plasmodium vivax aspartyl proteinase, putative 0.0064 0.0513 0.0451
Loa Loa (eye worm) hypothetical protein 0.0111 0.1722 0.1506
Plasmodium vivax flavodoxin domain containing protein 0.0077 0.0854 0.0794
Plasmodium falciparum plasmepsin I 0.0064 0.0513 0.0451
Schistosoma mansoni memapsin-2 (A01 family) 0.0428 0.9839 0.9839
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0145 0.2579 0.0283
Schistosoma mansoni tyrosinase precursor 0.0111 0.1722 0.1722
Loa Loa (eye worm) tyrosinase 1 0.0111 0.1722 0.1506
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.2337
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0137 0.2387 0.2189
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0077 0.0854 0.0394
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.2337
Loa Loa (eye worm) hypothetical protein 0.0064 0.0513 0.0266
Brugia malayi FAD binding domain containing protein 0.0087 0.1108 0.0877
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0137 0.2387 0.1438
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0111 0.1722 0.1506
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.1722 0.1506
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0087 0.1108 0.105
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0402 0.9179 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0087 0.1108 0.105
Giardia lamblia Nitric oxide synthase, inducible 0.0077 0.0854 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0087 0.1108 0.0877
Brugia malayi ShTK domain containing protein 0.0111 0.1722 0.1506

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.
 
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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