Detailed information for compound 1468733

Basic information

Technical information
  • TDR Targets ID: 1468733
  • Name: 4-(4-ethylphenyl)-2H-phthalazin-1-one
  • MW: 250.295 | Formula: C16H14N2O
  • H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)c1nnc(c2c1cccc2)O
  • InChi: 1S/C16H14N2O/c1-2-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(19)18-17-15/h3-10H,2H2,1H3,(H,18,19)
  • InChiKey: HQVDWGYUVSZTHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-Ethyl-phenyl)-2H-phthalazin-1-one
  • BAS 06805602
  • STOCK3S-30822
  • AG-690/34686018
  • ZINC00188579
  • Oprea1_127069
  • Oprea1_460673

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.1465 0.2802
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6912 0.6899
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1124 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.2402 0.4646
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.1124 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.1465 0.2802
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0214 0.0419
Brugia malayi Beta-glucuronidase precursor 0.0053 0.0584 0.0544
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.1124 0.7602
Schistosoma mansoni tar DNA-binding protein 0.0073 0.122 0.232
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.122 0.1183
Plasmodium vivax SET domain protein, putative 0.0036 0.0042 0.5
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0383 0.0748
Echinococcus granulosus beta galactosidase 0.0093 0.1868 0.3647
Echinococcus multilocularis tar DNA binding protein 0.0073 0.122 0.232
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0189 0.0289
Schistosoma mansoni hypothetical protein 0.0195 0.512 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.1465 0.2802
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0189 0.0147
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.2402 0.469
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0144 0.0103
Loa Loa (eye worm) hypothetical protein 0.0281 0.7871 0.7862
Brugia malayi TAR-binding protein 0.0073 0.122 0.1183
Brugia malayi Melibiase family protein 0.0081 0.1465 0.1429
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0057 0.0725 0.0686
Toxoplasma gondii melibiase subfamily protein 0.0081 0.1465 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0081 0.1465 0.2802
Loa Loa (eye worm) hypothetical protein 0.0039 0.0144 0.0103
Schistosoma mansoni beta-mannosidase 0.0053 0.0584 0.1067
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1124 0.213
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0189 0.0289
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.122 0.1183
Trichomonas vaginalis set domain proteins, putative 0.0286 0.802 1
Schistosoma mansoni jumonji domain containing protein 0.0087 0.168 0.3226
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0042 0.0083
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.1465 0.2802
Onchocerca volvulus 0.0286 0.802 0.8012
Loa Loa (eye worm) hypothetical protein 0.0058 0.0729 0.069
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1124 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.6912 0.6899
Loa Loa (eye worm) hypothetical protein 0.0348 1 1
Loa Loa (eye worm) beta-glucuronidase 0.0053 0.0584 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0073 0.122 0.232
Schistosoma mansoni hypothetical protein 0.0155 0.3842 0.7483
Schistosoma mansoni hypothetical protein 0.0195 0.512 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1465 0.1429
Brugia malayi jmjC domain containing protein 0.011 0.2402 0.2369
Brugia malayi manba-prov protein 0.0053 0.0584 0.0544
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0081 0.1465 0.2861
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0214 0.0339
Trichomonas vaginalis beta-galactosidase, putative 0.0164 0.411 0.4741
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0081 0.1465 0.1184
Schistosoma mansoni hypothetical protein 0.0039 0.0144 0.0201
Echinococcus multilocularis geminin 0.0195 0.512 1
Schistosoma mansoni hypothetical protein 0.0041 0.0214 0.0339
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1124 0.5
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0081 0.1465 0.2802
Brugia malayi jmjC domain containing protein 0.0041 0.0189 0.0147
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.1465 0.2802
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0383 0.0671
Brugia malayi RNA binding protein 0.0073 0.122 0.1183
Brugia malayi hypothetical protein 0.0041 0.0214 0.0173
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.1124 0.2195
Loa Loa (eye worm) hypothetical protein 0.0057 0.0724 0.0685
Echinococcus granulosus tar DNA binding protein 0.0073 0.122 0.2383
Entamoeba histolytica beta-galactosidase, putative 0.011 0.2418 1
Echinococcus multilocularis beta galactosidase 0.0093 0.1868 0.3594
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0724 0.0685
Schistosoma mansoni tar DNA-binding protein 0.0073 0.122 0.232
Echinococcus granulosus geminin 0.0195 0.512 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.122 0.232
Onchocerca volvulus 0.0348 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.1124 0.213
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.1465 0.2802
Loa Loa (eye worm) RNA binding protein 0.0073 0.122 0.1183
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0214 0.0339
Loa Loa (eye worm) hypothetical protein 0.0093 0.1868 0.1833
Schistosoma mansoni beta-galactosidase 0.0093 0.1868 0.3594
Loa Loa (eye worm) TAR-binding protein 0.0073 0.122 0.1183
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0057 0.0725 0.0686
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0189 0.0289
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.1124 0.5
Trichomonas vaginalis glycoside hydrolase, putative 0.0261 0.7226 0.8932
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0189 0.0369
Trichomonas vaginalis conserved hypothetical protein 0.0164 0.411 0.4741
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0724 0.0685
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1124 0.213
Schistosoma mansoni tar DNA-binding protein 0.0073 0.122 0.232
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.1105 0.1067
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0724 0.0685

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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