Detailed information for compound 680201

Basic information

Technical information
  • TDR Targets ID: 680201
  • Name: (E)-N-(4-phenyl-1,3-thiazol-2-yl)-3-(4-propox yphenyl)prop-2-enamide
  • MW: 364.461 | Formula: C21H20N2O2S
  • H donors: 1 H acceptors: 2 LogP: 5.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccc(cc1)C=CC(=O)Nc1scc(n1)c1ccccc1
  • InChi: 1S/C21H20N2O2S/c1-2-14-25-18-11-8-16(9-12-18)10-13-20(24)23-21-22-19(15-26-21)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,22,23,24)/b13-10+
  • InChiKey: ISGWCNPEPSBZTJ-JLHYYAGUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-phenyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
  • (E)-N-(4-phenylthiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
  • N-(4-phenylthiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
  • (E)-N-(4-phenyl-2-thiazolyl)-3-(4-propoxyphenyl)prop-2-enamide
  • N-(4-phenyl-2-thiazolyl)-3-(4-propoxyphenyl)prop-2-enamide
  • (E)-N-(4-phenylthiazol-2-yl)-3-(4-propoxyphenyl)acrylamide
  • N-(4-phenylthiazol-2-yl)-3-(4-propoxyphenyl)acrylamide
  • ZINC01778046

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.3881 0.3857
Loa Loa (eye worm) hypothetical protein 0.0016 0.0678 0.0642
Loa Loa (eye worm) hypothetical protein 0.0015 0.0578 0.0541
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.1021 0.0367
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.3948 0.3577
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1021 0.0367
Trichomonas vaginalis phosphofructokinase, putative 0.0107 1 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0039 0.0092
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2576 0.2121
Brugia malayi 6-phosphofructokinase 0.0107 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0039 0.0092
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0051 0.4224 0.3804
Brugia malayi Bloom's syndrome protein homolog 0.002 0.1021 0.047
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.1985 0.1402
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.1985 0.4699
Loa Loa (eye worm) hypothetical protein 0.0033 0.2388 0.2359
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0051 0.4224 0.4224
Brugia malayi transcriptional regulator, Sir2 family protein 0.0016 0.0678 0.0107
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.1021 0.0367
Echinococcus granulosus chromatin regulatory protein sir2 0.0016 0.0678 0.0107
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.3948 0.3924
Echinococcus granulosus bloom syndrome protein 0.002 0.1021 0.047
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0016 0.0678 0.0678
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1021 0.047
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0051 0.4224 0.4202
Toxoplasma gondii histone deacetylase SIR2 0.0051 0.4224 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.1021 0.047
Brugia malayi transcriptional regulator, Sir2 family protein 0.0016 0.0678 0.0107
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0051 0.4224 0.3804
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 1 1
Entamoeba histolytica recQ family DNA helicase 0.001 0.0039 0.0039
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0016 0.0678 0.0107
Schistosoma mansoni hypothetical protein 0.0015 0.0578 0.0541
Trichomonas vaginalis phosphofructokinase, putative 0.0107 1 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.1985 0.4699
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.1985 0.3685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.3881 0.3506
Entamoeba histolytica phosphofructokinase, putative 0.0107 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0578 0.0541
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.3881 0.3506
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1021 0.0367
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0016 0.0678 0.0107
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0016 0.0678 0.0107
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.1985 0.1402
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1021 0.047
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0051 0.4224 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.1985 0.4699
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0051 0.4224 0.3804
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0051 0.4224 0.3804
Schistosoma mansoni hypothetical protein 0.0033 0.2388 0.2359
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.1985 0.1402
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.1985 0.4699
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.1985 0.1402
Entamoeba histolytica recQ family helicase, putative 0.002 0.1021 0.1021
Schistosoma mansoni 6-phosphofructokinase 0.0107 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0678 0.0642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.3881 0.3506
Entamoeba histolytica hypothetical protein 0.0035 0.2576 0.2576
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.1985 0.1985
Schistosoma mansoni DNA helicase recq1 0.002 0.1021 0.0986
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.1985 0.1402
Schistosoma mansoni chromatin regulatory protein sir2 0.0051 0.4224 0.4202
Loa Loa (eye worm) hypothetical protein 0.001 0.0039 0.00000000082886
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.1021 0.047
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.1985 0.1954
Echinococcus multilocularis 6 phosphofructokinase 0.0107 1 1
Plasmodium vivax hypothetical protein, conserved 0.0016 0.0678 0.1606
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0016 0.0678 0.0107
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0051 0.4224 0.4202
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2576 0.2121
Echinococcus granulosus 6 phosphofructokinase 0.0107 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.1985 0.1402
Loa Loa (eye worm) transcriptional regulator 0.0016 0.0678 0.0642
Echinococcus multilocularis bloom syndrome protein 0.002 0.1021 0.047
Brugia malayi transcriptional regulator, Sir2 family protein 0.0016 0.0678 0.0107
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.1021 0.0965
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0016 0.0678 0.0107
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0678 0.0642
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.1021 0.0986
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.1985 0.4699
Loa Loa (eye worm) sirtuin 4 0.0016 0.0678 0.0642
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.1021 0.0965
Loa Loa (eye worm) RecQ helicase 0.002 0.1021 0.0986
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0678 0.0642
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.3948 0.3577
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.1985 0.1402
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0678 0.0642
Loa Loa (eye worm) phosphofructokinase 0.0107 1 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0051 0.4224 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1021 0.0986
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0051 0.4224 0.3804
Entamoeba histolytica phosphofructokinase, putative 0.0107 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1021 0.2416
Leishmania major ATP-dependent phosphofructokinase 0.0107 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0107 1 1
Loa Loa (eye worm) transcriptional regulator 0.0016 0.0678 0.0642
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.2388 0.1921
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0016 0.0678 0.0642
Entamoeba histolytica phosphofructokinase, putative 0.0107 1 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.1985 0.3685
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2576 0.2547
Loa Loa (eye worm) hypothetical protein 0.0048 0.3948 0.3924
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.1985 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.3881 0.3857
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.1985 0.3685
Schistosoma mansoni hypothetical protein 0.0015 0.0578 0.0541
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0016 0.0678 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.3881 0.3857
Giardia lamblia Transcriptional regulator, Sir2 family 0.0051 0.4224 1
Mycobacterium ulcerans NAD-dependent deacetylase 0.0051 0.4224 0.3804
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.1021 0.047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.3881 0.3506
Entamoeba histolytica hypothetical protein 0.0035 0.2576 0.2576
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.1021 0.047
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.1021 0.0965
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0016 0.0678 0.0642
Entamoeba histolytica hypothetical protein 0.0035 0.2576 0.2576
Entamoeba histolytica hypothetical protein, conserved 0.0016 0.0678 0.0678
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0678 0.0642
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0678 0.0642
Schistosoma mansoni hypothetical protein 0.0035 0.2576 0.2547
Schistosoma mansoni hypothetical protein 0.0015 0.0578 0.0541
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.1985 0.5
Loa Loa (eye worm) transcriptional regulator 0.0016 0.0678 0.0642
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0016 0.0678 0.0107
Toxoplasma gondii histone deacetylase SIR2-like 0.0016 0.0678 0.1606
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0016 0.0678 0.0678
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0016 0.0678 0.0678
Brugia malayi hypothetical protein 0.0035 0.2576 0.2121
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0016 0.0678 0.0107
Brugia malayi NAD-dependent deacetylase SIRT1 0.0016 0.0678 0.0107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.3881 0.3506
Brugia malayi 6-phosphofructokinase 0.0107 1 1
Echinococcus multilocularis chromatin regulatory protein sir2 0.0016 0.0678 0.0107
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.1021 0.0986
Trichomonas vaginalis phosphofructokinase, putative 0.0107 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.3881 0.3857
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1021 0.2416
Schistosoma mansoni DNA helicase recq5 0.002 0.1021 0.0986
Schistosoma mansoni hypothetical protein 0.0015 0.0578 0.0541
Entamoeba histolytica hypothetical protein 0.0035 0.2576 0.2576
Schistosoma mansoni 6-phosphofructokinase 0.0107 1 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 1 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.1021 0.0367

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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