Detailed information for compound 1294649

Basic information

Technical information
  • TDR Targets ID: 1294649
  • Name: 3-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperaz in-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carbo xamide
  • MW: 465.502 | Formula: C24H27N5O5
  • H donors: 1 H acceptors: 3 LogP: 1.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)n1nc(C(=O)NCC(=O)N2CCN(CC2)C)c2c(c1=O)cccc2
  • InChi: 1S/C24H27N5O5/c1-27-10-12-28(13-11-27)21(30)15-25-23(31)22-17-6-4-5-7-18(17)24(32)29(26-22)16-8-9-19(33-2)20(14-16)34-3/h4-9,14H,10-13,15H2,1-3H3,(H,25,31)
  • InChiKey: JBOWNQDKKIANBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide
  • 3-(3,4-dimethoxyphenyl)-N-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide
  • 3-(3,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-(4-methylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide
  • EU-0020633
  • SMR000130105
  • MLS000519687

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 smad 0.0018 0.0018 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0404 0.1598
Echinococcus multilocularis GPCR, family 2 0.0017 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0038 0.0224 0.1905
Brugia malayi MH2 domain containing protein 0.026 0.2531 1
Schistosoma mansoni coup transcription factor 0.0022 0.0059 0.0503
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0059 0.0233
Trypanosoma cruzi aurora B kinase, putative 0.0058 0.0433 0.3686
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0014 0.0014
Echinococcus multilocularis cyclin dependent kinase 0.0129 0.1175 0.1175
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0014 0.0057
Loa Loa (eye worm) hypothetical protein 0.0109 0.0969 0.383
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0129 0.1175 1
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0059 0.0503
Brugia malayi ecdysteroid receptor 0.0022 0.0059 0.0233
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0059 0.0136
Schistosoma mansoni smad1 5 8 and 0.0018 0.0018 0.0149
Loa Loa (eye worm) AUR protein kinase 0.0058 0.0433 0.1711
Brugia malayi nuclear hormone receptor 0.0022 0.0059 0.0233
Brugia malayi serine/threonine kinase 12 0.0058 0.0433 0.1711
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0059 0.0233
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Onchocerca volvulus 0.0022 0.0059 0.5
Echinococcus granulosus cyclin dependent kinase 0.0129 0.1175 0.2704
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0129 0.1175 0.2704
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0129 0.1175 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0129 0.1175 0.4643
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0109 0.0969 0.2231
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0059 0.0233
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0122
Trypanosoma cruzi cdc2-related kinase 1 0.0129 0.1175 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0059 0.0503
Trypanosoma brucei cdc2-related kinase 3 0.0129 0.1175 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0018 0.0149
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0122
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0059 0.0233
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0059 0.0503
Echinococcus multilocularis cyclin dependent kinase 1 0.0129 0.1175 0.1175
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0059 0.0233
Echinococcus multilocularis Smad4 0.0018 0.0018 0.0018
Plasmodium falciparum serine/threonine protein kinase, putative 0.0058 0.0433 0.3686
Echinococcus multilocularis aurora kinase A 0.0058 0.0433 0.0433
Schistosoma mansoni smad1 5 8 and 0.0018 0.0018 0.0149
Echinococcus multilocularis cyclin dependent kinase 5 0.0129 0.1175 0.1175
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0014 0.0057
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0059 0.0503
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0059 0.0136
Entamoeba histolytica cell division protein kinase 2, putative 0.0129 0.1175 1
Schistosoma mansoni serine/threonine protein kinase 0.0129 0.1175 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0014 0.0033
Plasmodium falciparum protein kinase 5 0.0129 0.1175 1
Trypanosoma cruzi cdc2-related kinase 3 0.0129 0.1175 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0129 0.1175 0.4643
Trichomonas vaginalis CMGC family protein kinase 0.0129 0.1175 1
Echinococcus granulosus FTZ F1 alpha 0.0435 0.4345 1
Brugia malayi steroid hormone receptor 0.0022 0.0059 0.0233
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0059 0.0233
Brugia malayi MH2 domain containing protein 0.0018 0.0018 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0059 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0059 0.0233
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0058 0.0433 0.0997
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0059 0.0503
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0059 0.0136
Giardia lamblia Kinase, CMGC CDK 0.0129 0.1175 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0059 0.0503
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0059 0.0233
Entamoeba histolytica cell division protein kinase 2, putative 0.0129 0.1175 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0059 0.0136
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0014 0.0033
Echinococcus multilocularis FTZ F1 alpha 0.0109 0.0969 0.0969
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0058 0.0433 0.0433
Toxoplasma gondii aurora kinase 0.0058 0.0433 0.3686
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0059 0.5
Brugia malayi MH1 domain containing protein 0.0018 0.0018 0.0069
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0059 0.0136
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0059 0.0503
Echinococcus granulosus GPCR family 2 0.0017 0.0014 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0059 0.0233
Schistosoma mansoni smad1 5 8 and 0.0018 0.0018 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0059 0.0233
Giardia lamblia Kinase, CMGC CDK 0.0129 0.1175 1
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0059 0.0233
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0059 0.0233
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0129 0.1175 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0224 0.0885
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0059 0.0233
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0059 0.0059
Trichomonas vaginalis CMGC family protein kinase 0.0129 0.1175 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1151 0.4549
Trypanosoma brucei aurora B kinase 0.0058 0.0433 0.3686
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0224 0.0885
Echinococcus multilocularis cyclin dependent kinase 1 0.0129 0.1175 0.1175
Brugia malayi MH1 domain containing protein 0.0018 0.0018 0.0069
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0018 0.004
Brugia malayi cell division control protein 2 homolog 0.0129 0.1175 0.4643
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0059 0.0136
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0059 0.0503
Schistosoma mansoni hypothetical protein 0.0088 0.0744 0.6332
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0059 0.0233
Brugia malayi MH2 domain containing protein 0.0018 0.0018 0.0069
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0433 0.3686
Trypanosoma cruzi cdc2-related kinase 1 0.0129 0.1175 1
Trypanosoma cruzi cdc2-related kinase 3 0.0129 0.1175 1
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0122
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0059 0.0059
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0059 0.0503
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0014 0.0057
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0129 0.1175 0.4643
Schistosoma mansoni serine/threonine protein kinase 0.0129 0.1175 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0059 0.0233
Loa Loa (eye worm) Smad1 0.0018 0.0018 0.0069
Schistosoma mansoni protein kinase 0.0058 0.0433 0.3686
Loa Loa (eye worm) hypothetical protein 0.0055 0.0404 0.1598
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0018 0.0069
Echinococcus multilocularis smad 0.0018 0.0018 0.0018
Loa Loa (eye worm) AUR protein kinase 0.0058 0.0433 0.1711
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0059 0.0233
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0018 0.0069
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0014 0.0014
Loa Loa (eye worm) AUR protein kinase 0.0058 0.0433 0.1711
Loa Loa (eye worm) MH2 domain-containing protein 0.026 0.2531 1
Brugia malayi Protein kinase domain containing protein 0.0129 0.1175 0.4643
Echinococcus granulosus cyclin dependent kinase 1 0.0129 0.1175 0.2704
Brugia malayi serine/threonine protein kinase 6 0.0058 0.0433 0.1711
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0058 0.0433 0.3686
Leishmania major protein kinase, putative 0.0058 0.0433 0.3686
Schistosoma mansoni Smad4 0.0018 0.0018 0.0149
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0059 0.5
Brugia malayi nuclear receptor NHR-88 0.0022 0.0059 0.0233
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Echinococcus granulosus cyclin dependent kinase 5 0.0129 0.1175 0.2704
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0109 0.0969 0.383
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0059 0.0233
Brugia malayi Smad1 0.0018 0.0018 0.0069
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0059 0.0059
Brugia malayi serine/threonine-protein kinase 6 0.0058 0.0433 0.1711
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0059 0.0233
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0057
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0059 0.0503
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0018 0.0018
Schistosoma mansoni smad 0.0018 0.0018 0.0149
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0059 0.0059
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0059 0.0503
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0059 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0059 0.0233
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0018 0.0018
Echinococcus granulosus aurora kinase A 0.0058 0.0433 0.0997
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0059 0.0059
Plasmodium vivax protein kinase Crk2 0.0129 0.1175 1
Echinococcus granulosus Smad4 0.0018 0.0018 0.004
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0059 0.0136
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0018 0.004
Trypanosoma brucei cdc2-related kinase 1 0.0129 0.1175 1
Trichomonas vaginalis CMGC family protein kinase 0.0129 0.1175 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0109 0.0969 0.383
Loa Loa (eye worm) transcription factor SMAD2 0.026 0.2531 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0109 0.0969 0.0969
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0404 0.1598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0059 0.0233
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0233
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0059 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0404 0.1598
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0109 0.0969 0.8249

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 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

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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