Detailed information for compound 987084

Basic information

Technical information
  • TDR Targets ID: 987084
  • Name: (E)-3-naphthalen-1-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/c1cccc2c1cccc2
  • InChi: 1S/C19H13NO3/c21-19(16-8-11-17(12-9-16)20(22)23)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-10+
  • InChiKey: FQWBVMFYEFHWJQ-JLHYYAGUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-naphthalen-1-yl-1-(4-nitrophenyl)prop-2-en-1-one
  • (E)-3-(1-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one
  • 3-(1-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one
  • ZINC04276676
  • ST5410065

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

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 82 % 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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