Detailed information for compound 961295

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.413 | Formula: C20H20N6
  • H donors: 4 H acceptors: 0 LogP: 2.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)NC(=N)N
  • InChi: 1S/C20H20N6/c21-19(22)25-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26-20(23)24/h1-12H,(H4,21,22,25)(H4,23,24,26)
  • InChiKey: GACRELNDQRIYMT-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis epidermal growth factor receptor kinase 0.0351989 0.270507 0.26116
Brugia malayi Src substrate cortactin 0.0351989 0.270507 0.26116
Entamoeba histolytica protein kinase, putative 0.0351989 0.270507 0.270507
Brugia malayi Myosin tail family protein 0.0351989 0.270507 0.26116
Brugia malayi serine/threonine kinase 12 0.107319 1 1
Entamoeba histolytica protein kinase, putative 0.107319 1 1
Schistosoma mansoni tyrosine kinase 0.0449053 0.368686 0.360597
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0427776 0.347164 0.3388
Loa Loa (eye worm) protein kinase C and casein kinase substrate in neurons protein 2 0.0351989 0.270507 0.26116
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Echinococcus granulosus tyrosine protein kinase Lyn 0.0457824 0.377558 0.369582
Entamoeba histolytica hypothetical protein, conserved 0.0351989 0.270507 0.270507
Entamoeba histolytica hypothetical protein, conserved 0.0351989 0.270507 0.270507
Echinococcus granulosus nostrin 0.0351989 0.270507 0.26116
Loa Loa (eye worm) AUR protein kinase 0.107319 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0449053 0.368686 0.360597
Entamoeba histolytica unconventional myosin IB 0.0351989 0.270507 0.270507
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.107319 1 1
Echinococcus multilocularis aurora kinase A 0.107319 1 1
Loa Loa (eye worm) guanylate kinase 0.0351989 0.270507 0.26116
Onchocerca volvulus LIM and SH3 domain protein homolog 0.0351989 0.270507 0.96674
Schistosoma mansoni tyrosine kinase 0.0449053 0.368686 0.360597
Echinococcus granulosus intersectin 2 0.0351989 0.270507 0.26116
Schistosoma mansoni sh3-containing grb2-like protein 1 (endophilin II) 0.0351989 0.270507 0.26116
Entamoeba histolytica BAR/SH3 domain containing protein 0.0351989 0.270507 0.270507
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0449053 0.368686 0.360597
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Loa Loa (eye worm) AUR protein kinase 0.107319 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0449053 0.368686 0.360597
Brugia malayi Peripheral plasma membrane protein CASK 0.0351989 0.270507 0.26116
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0351989 0.270507 0.26116
Plasmodium vivax serine/threonine protein kinase 6, putative 0.107319 1 0.5
Echinococcus granulosus c src tyrosine kinase 0.0449053 0.368686 0.360597
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Schistosoma mansoni formin binding protein and related proteins 0.0351989 0.270507 0.26116
Echinococcus multilocularis transfer RNA-Ala 0.0351989 0.270507 0.26116
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Echinococcus granulosus tyrosine protein kinase Fyn 0.0449053 0.368686 0.360597
Echinococcus multilocularis growth factor receptor bound protein 2 0.0427776 0.347164 0.3388
Echinococcus multilocularis Spectrin alpha actinin 0.0351989 0.270507 0.26116
Plasmodium falciparum serine/threonine protein kinase, putative 0.107319 1 0.5
Echinococcus granulosus growth factor receptor bound protein 2 0.0427776 0.347164 0.3388
Schistosoma mansoni serine/threonine protein kinase 0.0373267 0.292029 0.282957
Brugia malayi Variant SH3 domain containing protein 0.0427776 0.347164 0.3388
Loa Loa (eye worm) SRC-1 0.0449053 0.368686 0.360597
Echinococcus multilocularis tyrosine protein kinase Abl 0.0449053 0.368686 0.360597
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Trypanosoma cruzi aurora B kinase, putative 0.107319 1 1
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Schistosoma mansoni growth factor receptor-bound protein 0.0427776 0.347164 0.3388
Schistosoma mansoni sorting nexin 0.0351989 0.270507 0.26116
Echinococcus multilocularis endophilin A3 0.0351989 0.270507 0.26116
Loa Loa (eye worm) protein-tyrosine kinase 0.0351989 0.270507 0.26116
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0449053 0.368686 0.360597
Loa Loa (eye worm) AUR protein kinase 0.107319 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0097064 0.0126508 0.0126508
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0449053 0.368686 0.360597
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Echinococcus granulosus NCK adaptor protein 0.0427776 0.347164 0.3388
Echinococcus granulosus aurora kinase A 0.107319 1 1
Brugia malayi Variant SH3 domain containing protein 0.0427776 0.347164 0.3388
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Schistosoma mansoni cell polarity protein 0.0351989 0.270507 0.26116
Echinococcus granulosus rho guanine nucleotide exchange factor 7 0.0351989 0.270507 0.26116
Schistosoma mansoni adapter molecule crk 0.0427776 0.347164 0.3388
Echinococcus multilocularis rho guanine nucleotide exchange factor 7 0.0351989 0.270507 0.26116
Onchocerca volvulus 0.0351989 0.270507 0.96674
Schistosoma mansoni serine/threonine protein kinase 0.107319 1 1
Brugia malayi SRC-1 0.0449053 0.368686 0.360597
Echinococcus granulosus fch and double sh3 domains protein 2 0.0351989 0.270507 0.26116
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0449053 0.368686 0.360597
Schistosoma mansoni signal transducing adapter molecule (stam) 0.0351989 0.270507 0.26116
Brugia malayi Variant SH3 domain containing protein 0.0351989 0.270507 0.26116
Entamoeba histolytica protein kinase domain containing protein 0.107319 1 1
Echinococcus granulosus src region 0.0351989 0.270507 0.26116
Echinococcus multilocularis expressed protein 0.0351989 0.270507 0.26116
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Echinococcus granulosus slit robo rho gtpase activating protein 1 0.0351989 0.270507 0.26116
Leishmania major protein kinase, putative 0.107319 1 1
Schistosoma mansoni nck2/grb4 0.0427776 0.347164 0.3388
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0351989 0.270507 0.26116
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0427776 0.347164 0.3388
Brugia malayi Guanylate kinase family protein 0.0351989 0.270507 0.26116
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0449053 0.368686 0.360597
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0449053 0.368686 0.360597
Trichomonas vaginalis AGC family protein kinase 0.107319 1 1
Brugia malayi serine/threonine-protein kinase 6 0.107319 1 1
Entamoeba histolytica protein kinase, putative 0.107319 1 1
Schistosoma mansoni hypothetical protein 0.0351989 0.270507 0.26116
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0427776 0.347164 0.3388
Echinococcus granulosus epidermal growth factor receptor kinase 0.0351989 0.270507 0.26116
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0449053 0.368686 0.360597
Brugia malayi SH3 domain containing protein 0.0351989 0.270507 0.26116
Onchocerca volvulus 0.0351989 0.270507 0.96674
Echinococcus granulosus Spectrin alpha actinin 0.0351989 0.270507 0.26116
Echinococcus granulosus endophilin A3 0.0351989 0.270507 0.26116
Brugia malayi protein-tyrosine kinase 0.0351989 0.270507 0.26116
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Echinococcus multilocularis intersectin 2 0.0351989 0.270507 0.26116
Schistosoma mansoni growth factor receptor-bound protein 0.0427776 0.347164 0.3388
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.107319 1 1
Schistosoma mansoni apoptosis stimulating of P53 0.0351989 0.270507 0.26116
Schistosoma mansoni dynamin-associated protein 0.0351989 0.270507 0.26116
Echinococcus multilocularis hematopoietic lineage cell specific protein 0.0351989 0.270507 0.26116
Brugia malayi Variant SH3 domain containing protein 0.0351989 0.270507 0.26116
Echinococcus granulosus tyrosine protein kinase Src64B 0.0449053 0.368686 0.360597
Schistosoma mansoni tyrosine kinase 0.0449053 0.368686 0.360597
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Echinococcus multilocularis NCK adaptor protein 0.0427776 0.347164 0.3388
Echinococcus granulosus serine:threonine protein kinase 12 B 0.107319 1 1
Schistosoma mansoni sorbin 0.0351989 0.270507 0.26116
Loa Loa (eye worm) hypothetical protein 0.0427776 0.347164 0.3388
Echinococcus granulosus breast cancer anti estrogen resistance protein 0.0351989 0.270507 0.26116
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0351989 0.270507 0.26116
Schistosoma mansoni protein kinase 0.107319 1 1
Entamoeba histolytica protein kinase , putative 0.107319 1 1
Echinococcus multilocularis nostrin 0.0351989 0.270507 0.26116
Trichomonas vaginalis AGC family protein kinase 0.107319 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0449053 0.368686 0.360597
Onchocerca volvulus 0.0351989 0.270507 0.96674
Entamoeba histolytica hypothetical protein 0.0351989 0.270507 0.270507
Brugia malayi Tyrosine-protein kinase abl-1 0.0449053 0.368686 0.360597
Brugia malayi Fes/CIP4 homology domain containing protein 0.0351989 0.270507 0.26116
Schistosoma mansoni hypothetical protein 0.0351989 0.270507 0.26116
Brugia malayi Variant SH3 domain containing protein 0.0351989 0.270507 0.26116
Echinococcus multilocularis slit robo rho gtpase activating protein 1 0.0351989 0.270507 0.26116
Schistosoma mansoni tyrosine kinase 0.0449053 0.368686 0.360597
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.107319 1 1
Onchocerca volvulus 0.0351989 0.270507 0.96674
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0449053 0.368686 0.360597
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0449053 0.368686 0.360597
Onchocerca volvulus Putative cortactin 0.0351989 0.270507 0.96674
Trypanosoma brucei aurora B kinase 0.107319 1 1
Brugia malayi serine/threonine protein kinase 6 0.107319 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0449053 0.368686 0.360597
Schistosoma mansoni run and tbc1 domain containing 0.0351989 0.270507 0.26116
Trichomonas vaginalis AGC family protein kinase 0.107319 1 1
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0351989 0.270507 0.26116
Loa Loa (eye worm) p53BP2 0.0351989 0.270507 0.26116
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0449053 0.368686 0.360597
Onchocerca volvulus 0.036076 0.279378 1
Echinococcus granulosus expressed protein 0.0351989 0.270507 0.26116
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Entamoeba histolytica BAR/SH3 domain containing protein 0.0351989 0.270507 0.270507
Toxoplasma gondii aurora kinase 0.107319 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.107319 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0449053 0.368686 0.360597
Schistosoma mansoni Dab2-interacting protein-like 0.0351989 0.270507 0.26116
Echinococcus multilocularis breast cancer anti estrogen resistance protein 0.0351989 0.270507 0.26116
Loa Loa (eye worm) thyroid receptor interactor 0.0351989 0.270507 0.26116
Echinococcus multilocularis c src tyrosine kinase 0.0449053 0.368686 0.360597
Giardia lamblia Aurora kinase 0.107319 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0351989 0.270507 0.26116
Echinococcus granulosus tyrosine protein kinase Fyn 0.0449053 0.368686 0.360597
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.107319 1 1
Schistosoma mansoni dreadlocks/dock 0.0351989 0.270507 0.26116
Schistosoma mansoni slit-robo rho gtpase activating protein 0.0351989 0.270507 0.26116
Brugia malayi Variant SH3 domain containing protein 0.0351989 0.270507 0.26116
Echinococcus multilocularis fch and double sh3 domains protein 2 0.0351989 0.270507 0.26116
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0449053 0.368686 0.360597
Brugia malayi Spectrin alpha chain 0.0351989 0.270507 0.26116
Brugia malayi Variant SH3 domain containing protein 0.0351989 0.270507 0.26116
Echinococcus granulosus hematopoietic lineage cell specific protein 0.0351989 0.270507 0.26116
Brugia malayi Variant SH3 domain containing protein 0.0351989 0.270507 0.26116
Schistosoma mansoni C-fyn 0.0351989 0.270507 0.26116
Schistosoma mansoni eps8-related protein 0.0351989 0.270507 0.26116
Brugia malayi Sex muscle abnormal protein 5 0.0427776 0.347164 0.3388

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in mouse assessed as parasite-free survival at 20 mg/kg, ip administered on day 3 to 6 after infection measured on day 60 ChEMBL. 18455271
Activity (functional) > 54.5 day Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in mouse assessed as average survival days at 20 mg/kg, ip administered on day 3 to 6 after infection ChEMBL. 18455271
IC50 (functional) = 18 nM Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 bloodstream form after 72 hrs by alamar blue assay ChEMBL. 18455271
IC50 (functional) = 27 nM Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 after 72 hrs by [3H]hypoxanthine uptake ChEMBL. 18455271

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 18455271
Trypanosoma brucei gambiense 18455271

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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