Detailed information for compound 1456653

Basic information

Technical information
  • TDR Targets ID: 1456653
  • Name: ethyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate
  • MW: 294.305 | Formula: C17H14N2O3
  • H donors: 1 H acceptors: 4 LogP: 2.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)c1nnc(c2c1cccc2)O
  • InChi: 1S/C17H14N2O3/c1-2-22-17(21)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(20)19-18-15/h3-10H,2H2,1H3,(H,19,20)
  • InChiKey: RJOUBGFUZVHYNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-oxo-3H-phthalazin-1-yl)benzoic acid ethyl ester
  • 4-(4-keto-3H-phthalazin-1-yl)benzoic acid ethyl ester
  • Oprea1_788344
  • MLS000088515
  • SMR000024135
  • ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
  • ZINC00233879
  • STK088910
  • EU-0072402
  • Oprea1_493724

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
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0056 0.0071
Schistosoma mansoni hypothetical protein 0.0101 0.241 0.3493
Echinococcus granulosus tar DNA binding protein 0.0258 0.6885 1
Loa Loa (eye worm) hypothetical protein 0.0367 1 1
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0056 0.0056
Echinococcus granulosus GPCR family 2 0.0047 0.0869 0.1253
Toxoplasma gondii hypothetical protein 0.0018 0.0056 0.1987
Echinococcus multilocularis tar DNA binding protein 0.0258 0.6885 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0056 0.0049
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0367 1 1
Schistosoma mansoni tar DNA-binding protein 0.0258 0.6885 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0869 0.0862
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0869 0.1253
Schistosoma mansoni dep domain containing protein 0.0018 0.0056 0.0071
Brugia malayi Smad1 0.0025 0.0249 0.0249
Schistosoma mansoni smad1 5 8 and 0.0025 0.0249 0.0351
Schistosoma mansoni tar DNA-binding protein 0.0258 0.6885 1
Echinococcus multilocularis smad 0.0025 0.0249 0.0351
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0252 1
Loa Loa (eye worm) Smad1 0.0025 0.0249 0.0242
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0869 0.1253
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0056 0.0071
Loa Loa (eye worm) hypothetical protein 0.0018 0.0056 0.0049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0869 0.1253
Schistosoma mansoni tar DNA-binding protein 0.0258 0.6885 1
Brugia malayi MH1 domain containing protein 0.0025 0.0249 0.0249
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0008 0.0008
Schistosoma mansoni Smad4 0.0025 0.0249 0.0351
Brugia malayi hypothetical protein 0.0018 0.0056 0.0056
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0056 0.0056
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0056 0.0071
Echinococcus multilocularis GPCR, family 2 0.0047 0.0869 0.1253
Loa Loa (eye worm) hypothetical protein 0.0156 0.4 0.3996
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0056 0.0071
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0252 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0056 0.0056
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0056 0.0071
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.241 0.241
Loa Loa (eye worm) TAR-binding protein 0.0258 0.6885 0.6883
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0258 0.6885 0.6883
Brugia malayi hypothetical protein 0.0156 0.4 0.4
Echinococcus multilocularis Smad4 0.0025 0.0249 0.0351
Schistosoma mansoni dishevelled 0.0018 0.0056 0.0071
Leishmania major hypothetical protein, conserved 0.0025 0.0252 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0249 0.0242
Brugia malayi MH1 domain containing protein 0.0025 0.0249 0.0249
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0056 0.0071
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0249 0.0351
Brugia malayi MH2 domain containing protein 0.0025 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0047 0.0869 0.0862
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0249 0.0351
Schistosoma mansoni smad1 5 8 and 0.0025 0.0249 0.0351
Schistosoma mansoni hypothetical protein 0.0047 0.0869 0.1253
Schistosoma mansoni smad 0.0025 0.0249 0.0351
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0869 0.1253
Brugia malayi MH2 domain containing protein 0.0364 0.9929 0.9929
Loa Loa (eye worm) hypothetical protein 0.0147 0.3738 0.3733
Schistosoma mansoni hypothetical protein 0.0047 0.0869 0.1253
Loa Loa (eye worm) MH2 domain-containing protein 0.0364 0.9929 0.9929
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0056 0.0071
Echinococcus granulosus smad 0.0025 0.0249 0.0351
Schistosoma mansoni tar DNA-binding protein 0.0258 0.6885 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0249 0.0351
Loa Loa (eye worm) hypothetical protein 0.0018 0.0056 0.0049
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0056 0.0071
Onchocerca volvulus 0.0156 0.4 0.3966
Brugia malayi RNA binding protein 0.0258 0.6885 0.6885
Brugia malayi hypothetical protein 0.0018 0.0056 0.0056
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0056 0.0071
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0249 0.0351
Schistosoma mansoni dishevelled 0.0018 0.0056 0.0071
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0249 0.0351
Brugia malayi DIX domain containing protein 0.0018 0.0056 0.0056
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0252 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0249 0.0351
Brugia malayi RNA recognition motif domain containing protein 0.0258 0.6885 0.6885
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.3738 0.3738
Brugia malayi TAR-binding protein 0.0258 0.6885 0.6885
Schistosoma mansoni hypothetical protein 0.0047 0.0869 0.1253
Brugia malayi MH2 domain containing protein 0.0025 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0025 0.0252 0.0244
Loa Loa (eye worm) hypothetical protein 0.0018 0.0056 0.0049
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0056 0.0071
Brugia malayi hypothetical protein 0.0025 0.0252 0.0252
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0056 0.0049
Schistosoma mansoni hypothetical protein 0.0047 0.0869 0.1253
Schistosoma mansoni tar DNA-binding protein 0.0258 0.6885 1
Loa Loa (eye worm) transcription factor SMAD2 0.0364 0.9929 0.9929
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0869 0.0869
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0056 0.0071
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0252 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0252 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0249 0.0242
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0252 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.3738 0.3733
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0056 0.0071
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0008 0.5
Loa Loa (eye worm) RNA binding protein 0.0258 0.6885 0.6883
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0252 1
Echinococcus granulosus Smad4 0.0025 0.0249 0.0351
Brugia malayi isocitrate dehydrogenase 0.0016 0.0008 0.0008
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.3738 0.3738
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0056 0.0071
Loa Loa (eye worm) hypothetical protein 0.0101 0.241 0.2404
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0869 0.0869

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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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