Detailed information for compound 954008

Basic information

Technical information
  • TDR Targets ID: 954008
  • Name: (E)-3-naphthalen-2-yl-1-(4-nitrophenyl)prop-2 -en-1-one
  • MW: 303.311 | Formula: C19H13NO3
  • H donors: 0 H acceptors: 3 LogP: 4.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc2c(c1)cccc2
  • InChi: 1S/C19H13NO3/c21-19(16-8-10-18(11-9-16)20(22)23)12-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-13H/b12-6+
  • InChiKey: ZNMGBDWUZYEUIM-WUXMJOGZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-(2-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one
  • ZINC05128213

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 Protein-tyrosine phosphatase containing protein 0.0393 0.5892 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0223 0.3139 0.5062
Schistosoma mansoni memapsin-2 (A01 family) 0.0432 0.6534 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0646 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0049 0.0317 0.0481
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0223 0.3139 0.5223
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0085 0.0905 0.0376
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0085 0.0905 0.1164
Mycobacterium tuberculosis Conserved hypothetical protein 0.034 0.5044 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0085 0.0905 0.0376
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0114 0.1383 0.1911
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Echinococcus granulosus chromobox protein 1 0.0066 0.0601 0.0509
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0204 0.2841 0.5514
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0064 0.057 0.1129
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0452 0.0827
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Echinococcus granulosus Glycosyl transferase family 35 0.0227 0.3202 0.5175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0085 0.0905 0.1055
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0085 0.0905 0.199
Schistosoma mansoni hypothetical protein 0.0159 0.2104 0.3046
Treponema pallidum fructose-bisphosphate aldolase 0.0278 0.4027 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0085 0.0905 0.199
Echinococcus multilocularis chromobox protein 1 0.0066 0.0601 0.0509
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0204 0.2841 0.6957
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Giardia lamblia Glycogen phosphorylase 0.0227 0.3202 0.6881
Echinococcus granulosus chromobox protein 1 0.0066 0.0601 0.0509
Chlamydia trachomatis glycogen phosphorylase 0.0227 0.3202 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0089 0.0974 0.1178
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0317 0.0481
Echinococcus multilocularis glycogen phosphorylase 0.0227 0.3202 0.5175
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0393 0.5892 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0317 0.0481
Giardia lamblia Fructose-bisphosphate aldolase 0.0278 0.4027 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.013 0.0406
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0111 0.1323 0.0818
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0452 0.0827
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0089 0.0974 0.1178
Trypanosoma brucei RNA helicase, putative 0.0159 0.2104 0.1645
Echinococcus multilocularis chromobox protein 1 0.0066 0.0601 0.0509
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0063 0.055 0.1078
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0204 0.2841 0.4822
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Loa Loa (eye worm) glycogen phosphorylase 0.0227 0.3202 0.5435
Echinococcus granulosus glycogen phosphorylase 0.0227 0.3202 0.5175
Brugia malayi Heterochromatin protein 1 0.0066 0.0601 0.0818
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0136 0.1726 0.1551
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0136 0.1726 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0114 0.1383 0.1911
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0114 0.1383 0.1911
Trichomonas vaginalis chromobox protein, putative 0.0066 0.0601 0.1209
Entamoeba histolytica glycogen phosphorylase, putative 0.0227 0.3202 0.7166
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0086 0.093 0.1099
Onchocerca volvulus 0.0225 0.3174 0.9913
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0089 0.0974 0.0449
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0204 0.2841 0.4389
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0393 0.5892 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0204 0.2841 0.6957
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0452 0.0827
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0089 0.0974 0.5609
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0089 0.0974 0.0449
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Onchocerca volvulus Glycogen phosphorylase homolog 0.0227 0.3202 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0278 0.4027 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0064 0.057 0.1129
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0049 0.0317 0.0325
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0141 0.182 0.179
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Brugia malayi carbohydrate phosphorylase 0.0227 0.3202 0.5332
Loa Loa (eye worm) heterochromatin protein 1 0.0066 0.0601 0.102
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0278 0.4027 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0091 0.1001 0.0478
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0646 1 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0223 0.3139 0.4671
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0905 0.199
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0114 0.1383 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Loa Loa (eye worm) hypothetical protein 0.0114 0.1383 0.2347
Trichomonas vaginalis glycogen phosphorylase, putative 0.0227 0.3202 0.7884
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0114 0.1383 0.1911
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0114 0.1383 0.1914
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0136 0.1726 0.1551
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0085 0.0905 0.0376
Schistosoma mansoni glycogen phosphorylase 0.0227 0.3202 0.477
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0306 0.4484 0.4164
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0204 0.2841 0.6957
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0306 0.4484 0.4164
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0091 0.1001 0.0478
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0064 0.057 0.0021
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0204 0.2841 0.5924
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0089 0.0974 0.5609
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0091 0.1001 0.0478
Trichomonas vaginalis glycogen phosphorylase, putative 0.0227 0.3202 0.7884
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0091 0.1001 0.0478
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0393 0.5892 0.8992
Loa Loa (eye worm) PDE1B protein 0.0223 0.3139 0.5328
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Schistosoma mansoni chromobox protein 0.0066 0.0601 0.0687
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0204 0.2841 0.6957
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0204 0.2841 0.5924
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0278 0.4027 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Loa Loa (eye worm) hypothetical protein 0.0049 0.0317 0.0538
Trichomonas vaginalis chromobox protein, putative 0.004 0.0175 0.0117
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0204 0.2841 0.4705
Schistosoma mansoni glycogen phosphorylase 0.0098 0.1117 0.1497
Onchocerca volvulus 0.0039 0.0164 0.0511
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0085 0.0905 0.0376
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0085 0.0905 0.1055
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0089 0.0974 0.0449
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0393 0.5892 1
Toxoplasma gondii hypothetical protein 0.0104 0.1218 0.8226
Echinococcus multilocularis Glycosyl transferase, family 35 0.0227 0.3202 0.5175
Trichomonas vaginalis chromobox protein, putative 0.004 0.0175 0.0117
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0175 0.0548
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0086 0.093 0.1099
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0306 0.4484 0.4164
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0204 0.2841 0.6957
Schistosoma mansoni chromobox protein 0.0066 0.0601 0.0687
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0646 1 1
Echinococcus multilocularis glycogen phosphorylase 0.0227 0.3202 0.5175
Entamoeba histolytica glycogen phosphorylase, putative 0.0227 0.3202 0.7166
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0223 0.3139 0.5062
Trichomonas vaginalis set domain proteins, putative 0.0225 0.3174 0.7812
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0204 0.2841 0.6957
Trichomonas vaginalis chromobox protein, putative 0.0066 0.0601 0.1209
Mycobacterium ulcerans hypothetical protein 0.034 0.5044 1
Schistosoma mansoni glycogen phosphorylase 0.0227 0.3202 0.477
Onchocerca volvulus 0.0204 0.2841 0.8871
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Brugia malayi Pre-SET motif family protein 0.0198 0.2732 0.4516
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0085 0.0905 0.199
Loa Loa (eye worm) hypothetical protein 0.0037 0.013 0.022
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0089 0.0974 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0085 0.0905 0.199
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0063 0.055 0.1078
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0089 0.0974 0.0449
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0049 0.0317 0.0241
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0198 0.2732 0.4637
Echinococcus granulosus glycogen phosphorylase 0.0227 0.3202 0.5175
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0086 0.093 0.1388
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0086 0.093 0.1578
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0049 0.0317 0.0325
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0085 0.0905 0.0376

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 89 % Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase assessed as enzyme activity at 25 uM ChEMBL. 18930396

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

1 literature reference was collected for this gene.

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