Detailed information for compound 656307

Basic information

Technical information
  • TDR Targets ID: 656307
  • Name: (E)-3-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol -2-yl)prop-2-enenitrile
  • MW: 333.364 | Formula: C18H11N3O2S
  • H donors: 0 H acceptors: 4 LogP: 4.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1
  • InChi: 1S/C18H11N3O2S/c19-11-15(10-13-6-8-16(9-7-13)21(22)23)18-20-17(12-24-18)14-4-2-1-3-5-14/h1-10,12H/b15-10+
  • InChiKey: GZHUZIHSDHWNPW-XNTDXEJSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
  • 3-(4-nitrophenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile
  • (E)-3-(4-nitrophenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile
  • 3-(4-nitrophenyl)-2-(4-phenyl-2-thiazolyl)prop-2-enenitrile
  • (E)-3-(4-nitrophenyl)-2-(4-phenyl-2-thiazolyl)prop-2-enenitrile
  • (E)-3-(4-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
  • 3-(4-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
  • ZINC03997668

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 GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.071 0.071
Leishmania major 0.0152 0.3024 0.7323
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0202 0.4129 1
Brugia malayi RNA binding protein 0.0068 0.1154 0.1154
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0103 0.2418
Echinococcus granulosus intermediate filament protein 0.0029 0.0296 0.0712
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0103 0.0244
Loa Loa (eye worm) hypothetical protein 0.0149 0.295 0.295
Loa Loa (eye worm) hypothetical protein 0.0053 0.0835 0.0835
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0145 0.0145
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.1154 0.1154
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.011 0.2079 0.2079
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0296 0.0296
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0508 1
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0508 0.1224
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0031 0.0068
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0068
Echinococcus granulosus carbonic anhydrase 0.011 0.2079 0.5033
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0202 0.4129 1
Loa Loa (eye worm) hypothetical protein 0.0468 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0152 0.3024 0.7323
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.1154 0.1154
Loa Loa (eye worm) hypothetical protein 0.011 0.2079 0.2079
Brugia malayi intermediate filament protein 0.0029 0.0296 0.0296
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0508 0.1224
Schistosoma mansoni ap endonuclease 0.002 0.0103 0.0244
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0835 0.0835
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0508 0.1224
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0508 0.1224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.071 0.1715
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0835 0.0835
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.011 0.2079 0.2079
Echinococcus multilocularis lamin dm0 0.0029 0.0296 0.0712
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0031 0.0068
Echinococcus multilocularis tar DNA binding protein 0.0068 0.1154 0.2789
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0002 0.0002
Brugia malayi hypothetical protein 0.0149 0.295 0.295
Schistosoma mansoni carbonic anhydrase 0.011 0.2079 0.5033
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0508 0.1224
Echinococcus multilocularis lamin 0.0029 0.0296 0.0712
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0103 0.0244
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1154 0.2789
Toxoplasma gondii fructose-bisphospatase I 0.0057 0.091 0.3004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.071 0.1715
Loa Loa (eye worm) hypothetical protein 0.0087 0.1572 0.1572
Schistosoma mansoni hypothetical protein 0.0036 0.0463 0.1115
Echinococcus multilocularis musashi 0.0029 0.0296 0.0712
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.1219 0.1219
Brugia malayi hypothetical protein 0.0087 0.1572 0.1572
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0508 0.3623
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0508 0.1224
Brugia malayi TAR-binding protein 0.0068 0.1154 0.1154
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0202 0.4129 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.1154 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1154 0.2789
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0103 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0508 1
Schistosoma mansoni carbonic anhydrase-related 0.011 0.2079 0.5033
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0152 0.3024 0.3024
Loa Loa (eye worm) hypothetical protein 0.0028 0.0284 0.0284
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0508 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0002 0.0002
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.1219 0.2949
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0103 0.0244
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.1219 0.2949
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0419 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.071 0.1715
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.071 0.1715
Toxoplasma gondii hypothetical protein 0.011 0.2079 0.6873
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0296 0.0296
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0103 0.0244
Echinococcus multilocularis carbonic anhydrase 0.011 0.2079 0.5033
Echinococcus granulosus tar DNA binding protein 0.0068 0.1154 0.2789
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0103 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0202 0.4129 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0103 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.1219 0.2949
Echinococcus multilocularis carbonic anhydrase 0.011 0.2079 0.5033
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1219 0.2949
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.071 0.1715
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1219 0.2949
Schistosoma mansoni lamin 0.0029 0.0296 0.0712
Echinococcus multilocularis GPCR, family 2 0.0017 0.0031 0.0068
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0419 0.5
Schistosoma mansoni ap endonuclease 0.002 0.0103 0.0244
Onchocerca volvulus 0.0149 0.295 1
Brugia malayi Inositol-1 0.0038 0.0508 0.0508
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0057 0.091 0.3004
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0031 0.0068
Leishmania major carbonic anhydrase-like protein 0.0202 0.4129 1
Schistosoma mansoni eyes absent homolog 0.0087 0.1572 0.3803
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0508 1
Echinococcus multilocularis geminin 0.0181 0.3666 0.8877
Brugia malayi isocitrate dehydrogenase 0.0016 0.0002 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0031 0.0031
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0562 0.1356
Loa Loa (eye worm) hypothetical protein 0.011 0.2079 0.2079
Echinococcus multilocularis carbonic anhydrase 0.011 0.2079 0.5033
Schistosoma mansoni hypothetical protein 0.0181 0.3666 0.8877
Echinococcus granulosus carbonic anhydrase 0.011 0.2079 0.5033
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0202 0.4129 0.4129
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0152 0.3024 0.7323
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1154 0.2789
Echinococcus granulosus carbonic anhydrase 0.011 0.2079 0.5033
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.1219 0.2949
Echinococcus granulosus carbonic anhydrase II 0.0202 0.4129 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0103 0.0103
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0103 0.0484
Echinococcus granulosus lamin dm0 0.0029 0.0296 0.0712
Loa Loa (eye worm) hypothetical protein 0.011 0.2079 0.2079
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0068
Schistosoma mansoni inositol monophosphatase 0.0038 0.0508 0.1224
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0835 0.0835
Loa Loa (eye worm) inositol-1 0.0038 0.0508 0.0508
Trypanosoma brucei carbonic anhydrase-like protein 0.0202 0.4129 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0031 0.0031
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.011 0.2079 0.2079
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.011 0.2079 0.2079
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.1219 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.071 0.071
Schistosoma mansoni lamin 0.0029 0.0296 0.0712
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0152 0.3024 0.7323
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0103 0.0244
Schistosoma mansoni carbonic anhydrase-related 0.011 0.2079 0.5033
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Loa Loa (eye worm) carbonic anhydrase 3 0.0202 0.4129 0.4129
Loa Loa (eye worm) hypothetical protein 0.0087 0.1572 0.1572
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.071 0.1715
Brugia malayi sulfakinin receptor protein 0.0468 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0103 0.0244
Echinococcus granulosus GPCR family 2 0.0017 0.0031 0.0068
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0057 0.091 0.22
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.1219 0.1219
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0103 0.0103
Echinococcus granulosus lamin 0.0029 0.0296 0.0712
Schistosoma mansoni hypothetical protein 0.011 0.2079 0.5033
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0057 0.091 0.22
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0508 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1154 0.2789
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0057 0.091 0.22
Brugia malayi fructose-1,6-bisphosphatase 0.0152 0.3024 0.3024
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0296 0.0296
Brugia malayi Cytochrome P450 family protein 0.0022 0.0145 0.0145
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.071 0.1715
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0152 0.3024 0.7323
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0068
Schistosoma mansoni hypothetical protein 0.0181 0.3666 0.8877
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0031 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1154 0.2789
Loa Loa (eye worm) RNA binding protein 0.0068 0.1154 0.1154
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0202 0.4129 0.4129
Toxoplasma gondii exonuclease III APE 0.002 0.0103 0.0333
Schistosoma mansoni intermediate filament proteins 0.0029 0.0296 0.0712
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1219 0.2949
Loa Loa (eye worm) hypothetical protein 0.0029 0.0296 0.0296
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.011 0.2079 0.2079
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0463 0.0463
Echinococcus multilocularis carbonic anhydrase II 0.0202 0.4129 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0152 0.3024 0.7323
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0068
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0152 0.3024 0.7323
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0202 0.4129 0.4129
Toxoplasma gondii fructose-bisphospatase II 0.0152 0.3024 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0508 0.1224
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0031 0.0031
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0508 0.1671
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0562 0.1356
Schistosoma mansoni hypothetical protein 0.0051 0.0785 0.1896
Schistosoma mansoni carbonic anhydrase-related 0.011 0.2079 0.5033
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.011 0.2079 0.2079
Echinococcus granulosus geminin 0.0181 0.3666 0.8877
Plasmodium falciparum carbonic anhydrase 0.011 0.2079 1

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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