Detailed information for compound 1729319

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.357 | Formula: C19H16N4O
  • H donors: 1 H acceptors: 4 LogP: 2.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cc(nc2c1cnn2Cc1ccncc1)c1ccccc1
  • InChi: 1S/C19H16N4O/c24-13-16-10-18(15-4-2-1-3-5-15)22-19-17(16)11-21-23(19)12-14-6-8-20-9-7-14/h1-11,24H,12-13H2
  • InChiKey: BVDWAKQGKDIXNR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0795 0.2776
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0108 0.0377
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0221 0.0773
Brugia malayi MH2 domain containing protein 0.0008 0.007 0.0245
Entamoeba histolytica hypothetical protein 0.0037 0.0644 1
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0216
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0053 0.0048
Entamoeba histolytica hypothetical protein 0.0037 0.0644 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0108 0.0103
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0087 0.0304
Brugia malayi orphan nuclear receptor NR2E1 0.0005 0.0005 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0016 0.0057
Brugia malayi nuclear receptor RXR 0.0005 0.0016 0.0057
Loa Loa (eye worm) hypothetical protein 0.0146 0.2793 0.975
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0053 0.0048
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0216
Echinococcus multilocularis GPCR, family 2 0.0016 0.0221 0.0216
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0087 0.0082
Echinococcus granulosus FTZ F1 alpha 0.0387 0.7523 0.7522
Schistosoma mansoni cpg binding protein 0.003 0.0508 0.0503
Brugia malayi hypothetical protein 0.0005 0.0016 0.0057
Schistosoma mansoni ap endonuclease 0.0019 0.0281 0.0276
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.007 0.0065
Onchocerca volvulus 0.0029 0.0475 0.1644
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0281 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0281 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0.0108 0.0103
Entamoeba histolytica hypothetical protein 0.0037 0.0644 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0108 0.0103
Brugia malayi Muscleblind-like protein 0.0146 0.2793 0.975
Brugia malayi ecdysone receptor 0.0005 0.0005 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0108 0.0377
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0108 0.036
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.007 0.0065
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0281 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.007 0.0245
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0281 0.5
Onchocerca volvulus 0.001 0.0108 0.036
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0795 0.2776
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0053 0.0048
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0108 0.036
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0795 0.079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0108 0.0377
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0281 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0108 0.0103
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0221 0.0216
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0108 0.0103
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0108 0.0377
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0108 0.0377
Loa Loa (eye worm) hypothetical protein 0.0016 0.0221 0.0773
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0005 0.0005 0.0018
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0579 0.2021
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0475 0.166
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2215 0.7732
Brugia malayi nuclear receptor NHR-88 0.0005 0.0005 0.0018
Loa Loa (eye worm) DR-78 0.0005 0.0005 0.0018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0108 0.0103
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0108 0.0103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0108 0.0377
Schistosoma mansoni cpg binding protein 0.0029 0.0475 0.0471
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0108 0.0103
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0085 0.0297
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0108 0.0103
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Brugia malayi hypothetical protein 0.015 0.2865 1
Brugia malayi nuclear hormone receptor 0.0005 0.0005 0.0018
Loa Loa (eye worm) nuclear hormone receptor 0.0005 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0057
Brugia malayi tailless protein 0.0005 0.0005 0.0018
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0108 0.0103
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0108 0.0377
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0644 0.0639
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.0065
Echinococcus granulosus cpg binding protein 0.003 0.0508 0.0503
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0053 0.0048
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0108 0.0377
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0108 0.0377
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0108 0.0377
Schistosoma mansoni hypothetical protein 0.0034 0.0579 0.0574
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0108 0.0103
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0108 0.0377
Echinococcus multilocularis smad 0.0008 0.007 0.0065
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0644 0.0639
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0108 0.0103
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2215 0.7732
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0108 0.036
Brugia malayi nuclear receptor NHR-67 0.0005 0.0005 0.0018
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.007 0.0065
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0281 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0221 0.0773
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0108 0.0377
Loa Loa (eye worm) Smad1 0.0008 0.007 0.0245
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0221 0.0773
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0887 0.3096
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0281 0.0276
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0795 0.079
Brugia malayi CXXC zinc finger family protein 0.0029 0.0475 0.166
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0644 0.0639
Loa Loa (eye worm) hypothetical protein 0.015 0.2865 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0108 0.0377
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0108 0.0377
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0216
Echinococcus granulosus smad 0.0008 0.007 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0108 0.0377
Loa Loa (eye worm) nuclear receptor NHR-67 0.0005 0.0005 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0795 0.079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0795 0.079
Schistosoma mansoni hypothetical protein 0.0016 0.0221 0.0216
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0108 0.0377
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0221 0.0216
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Schistosoma mansoni thyroid hormone receptor 0.001 0.0108 0.0103
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0108 0.0377
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0281 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0221 0.0216
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0978 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.007 0.0245
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.007 0.0065
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1106 0.1101
Brugia malayi conserved hypotetical protein 0.0005 0.0005 0.0018
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0281 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0057
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0016 0.0011
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0005 0.0018
Echinococcus multilocularis muscleblind protein 0.0146 0.2793 0.279
Schistosoma mansoni nuclear hormone receptor 0.001 0.0108 0.0103
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0016 0.0057
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.007 0.0065
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0281 0.0276
Echinococcus multilocularis cpg binding protein 0.003 0.0508 0.0503
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0108 0.0103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0108 0.0377
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0281 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0644 0.0639
Schistosoma mansoni cpg binding protein 0.003 0.0508 0.0503
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0108 0.0377
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Loa Loa (eye worm) hypothetical protein 0.0146 0.2793 0.975
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0281 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Echinococcus granulosus GPCR family 2 0.0016 0.0221 0.0216
Brugia malayi hypothetical protein 0.0005 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Echinococcus multilocularis Smad4 0.0008 0.007 0.0065
Onchocerca volvulus 0.015 0.2865 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.0065
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Brugia malayi nuclear hormone receptor family member nhr-6 0.0005 0.0005 0.0018
Brugia malayi Smad1 0.0008 0.007 0.0245
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0087 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0795 0.079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0108 0.0103
Brugia malayi nuclear receptor NHR-88 0.001 0.0108 0.0377
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0221 0.0216
Brugia malayi MH1 domain containing protein 0.0008 0.007 0.0245
Entamoeba histolytica hypothetical protein 0.0037 0.0644 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0281 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0053 0.0048
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0108 0.0103
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0108 0.0377
Schistosoma mansoni hypothetical protein 0.0407 0.792 0.7919
Schistosoma mansoni ap endonuclease 0.0019 0.0281 0.0276
Brugia malayi nuclear receptor RXR 0.0005 0.0005 0.0018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0108 0.0103
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0108 0.0103
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0108 0.0377
Echinococcus granulosus dnaJ subfamily B 0.0407 0.792 0.7919
Schistosoma mansoni smad1 5 8 and 0.0008 0.007 0.0065
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0108 0.0103
Brugia malayi ecdysteroid receptor 0.001 0.0108 0.0377
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Loa Loa (eye worm) hypothetical protein 0.0049 0.0887 0.3096
Brugia malayi steroid hormone receptor 0.001 0.0108 0.0377
Brugia malayi nuclear hormone receptor family member odr-7 0.0005 0.0005 0.0018
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0016 0.0011
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0281 0.098
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0108 0.0103
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0108 0.0377
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0016 0.0011
Brugia malayi MH2 domain containing protein 0.0008 0.007 0.0245
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0281 0.098
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0108 0.0103
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0108 0.0103
Brugia malayi hypothetical protein 0.0037 0.0644 0.2248
Echinococcus multilocularis muscleblind protein 1 0.0146 0.2793 0.279
Brugia malayi MH2 domain containing protein 0.0117 0.2215 0.7732
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0795 0.079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0795 0.079
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0108 0.0103
Loa Loa (eye worm) hypothetical protein 0.0034 0.0579 0.2021
Brugia malayi hypothetical protein 0.0005 0.0016 0.0057
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0057
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0377
Echinococcus granulosus muscleblind protein 0.0146 0.2793 0.279
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0016 0.0057
Brugia malayi hypothetical protein 0.0005 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0108 0.0103
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0281 0.5
Echinococcus granulosus Smad4 0.0008 0.007 0.0065
Loa Loa (eye worm) hypothetical protein 0.0005 0.0016 0.0057
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0108 0.0103
Schistosoma mansoni Smad4 0.0008 0.007 0.0065
Brugia malayi MH1 domain containing protein 0.0008 0.007 0.0245
Brugia malayi nuclear hormone receptor 0.001 0.0108 0.0377
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0887 0.3096
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0108 0.0377
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0108 0.0103
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0005 0.0005 0.0018
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0016 0.0011
Schistosoma mansoni coup transcription factor 0.001 0.0108 0.0103
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0108 0.0103
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0887 0.3096
Schistosoma mansoni smad 0.0008 0.007 0.0065
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0281 1
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.792 0.7919
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0108 0.0103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0108 0.0377
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0005 0.0018

Activities

No activities found for this compound.

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

No literature references available for this target.

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