Detailed information for compound 962964

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.614 | Formula: C31H34N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)OC1CC2(CC(C1C(C2)c1ccccc1)c1ccccc1)N1CCCCC1
  • InChi: 1S/C31H34N2O2/c34-30(25-15-10-16-32-22-25)35-28-21-31(33-17-8-3-9-18-33)19-26(23-11-4-1-5-12-23)29(28)27(20-31)24-13-6-2-7-14-24/h1-2,4-7,10-16,22,26-29H,3,8-9,17-21H2
  • InChiKey: JZNSREPZKLXMHV-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
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Schistosoma mansoni tyrosine kinase 0.0419893 0.385094 0.375443
Echinococcus multilocularis NCK adaptor protein 0.0398584 0.360684 0.350649
Echinococcus granulosus tyrosine protein kinase Src64B 0.0419893 0.385094 0.375443
Schistosoma mansoni sorbin 0.0322685 0.273741 0.262341
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0956687 1 1
Echinococcus granulosus breast cancer anti estrogen resistance protein 0.0322685 0.273741 0.262341
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0322685 0.273741 0.262341
Entamoeba histolytica protein kinase , putative 0.0956687 1 1
Schistosoma mansoni protein kinase 0.0956687 1 1
Echinococcus multilocularis nostrin 0.0322685 0.273741 0.262341
Loa Loa (eye worm) hypothetical protein 0.0398584 0.360684 0.350649
Echinococcus granulosus tyrosine protein kinase Fyn 0.0419893 0.385094 0.375443
Onchocerca volvulus 0.0322685 0.273741 0.966487
Trichomonas vaginalis AGC family protein kinase 0.0956687 1 1
Schistosoma mansoni hypothetical protein 0.0322685 0.273741 0.262341
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0398584 0.360684 0.350649
Echinococcus granulosus epidermal growth factor receptor kinase 0.0322685 0.273741 0.262341
Entamoeba histolytica protein kinase, putative 0.0956687 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0956687 1 1
Brugia malayi SH3 domain containing protein 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0419893 0.385094 0.375443
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0956687 1 1
Schistosoma mansoni apoptosis stimulating of P53 0.0322685 0.273741 0.262341
Schistosoma mansoni dynamin-associated protein 0.0322685 0.273741 0.262341
Echinococcus granulosus Spectrin alpha actinin 0.0322685 0.273741 0.262341
Onchocerca volvulus 0.0322685 0.273741 0.966487
Echinococcus granulosus endophilin A3 0.0322685 0.273741 0.262341
Brugia malayi protein-tyrosine kinase 0.0322685 0.273741 0.262341
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Schistosoma mansoni growth factor receptor-bound protein 0.0398584 0.360684 0.350649
Echinococcus multilocularis intersectin 2 0.0322685 0.273741 0.262341
Echinococcus multilocularis hematopoietic lineage cell specific protein 0.0322685 0.273741 0.262341
Brugia malayi Variant SH3 domain containing protein 0.0322685 0.273741 0.262341
Entamoeba histolytica BAR/SH3 domain containing protein 0.0322685 0.273741 0.273741
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Toxoplasma gondii aurora kinase 0.0956687 1 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0419893 0.385094 0.375443
Trichomonas vaginalis AGC family protein kinase 0.0956687 1 1
Schistosoma mansoni Dab2-interacting protein-like 0.0322685 0.273741 0.262341
Echinococcus granulosus expressed protein 0.0322685 0.273741 0.262341
Echinococcus multilocularis c src tyrosine kinase 0.0419893 0.385094 0.375443
Giardia lamblia Aurora kinase 0.0956687 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0956687 1 1
Schistosoma mansoni dreadlocks/dock 0.0322685 0.273741 0.262341
Echinococcus granulosus tyrosine protein kinase Fyn 0.0419893 0.385094 0.375443
Echinococcus multilocularis breast cancer anti estrogen resistance protein 0.0322685 0.273741 0.262341
Loa Loa (eye worm) thyroid receptor interactor 0.0322685 0.273741 0.262341
Echinococcus multilocularis fch and double sh3 domains protein 2 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0419893 0.385094 0.375443
Brugia malayi Spectrin alpha chain 0.0322685 0.273741 0.262341
Schistosoma mansoni slit-robo rho gtpase activating protein 0.0322685 0.273741 0.262341
Brugia malayi Variant SH3 domain containing protein 0.0322685 0.273741 0.262341
Schistosoma mansoni C-fyn 0.0322685 0.273741 0.262341
Schistosoma mansoni eps8-related protein 0.0322685 0.273741 0.262341
Brugia malayi Sex muscle abnormal protein 5 0.0398584 0.360684 0.350649
Brugia malayi Variant SH3 domain containing protein 0.0322685 0.273741 0.262341
Echinococcus granulosus hematopoietic lineage cell specific protein 0.0322685 0.273741 0.262341
Brugia malayi Variant SH3 domain containing protein 0.0322685 0.273741 0.262341
Brugia malayi Variant SH3 domain containing protein 0.0322685 0.273741 0.262341
Schistosoma mansoni hypothetical protein 0.0322685 0.273741 0.262341
Schistosoma mansoni tyrosine kinase 0.0419893 0.385094 0.375443
Echinococcus multilocularis slit robo rho gtpase activating protein 1 0.0322685 0.273741 0.262341
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Brugia malayi Tyrosine-protein kinase abl-1 0.0419893 0.385094 0.375443
Brugia malayi Fes/CIP4 homology domain containing protein 0.0322685 0.273741 0.262341
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0419893 0.385094 0.375443
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0419893 0.385094 0.375443
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0956687 1 1
Onchocerca volvulus 0.0322685 0.273741 0.966487
Trichomonas vaginalis AGC family protein kinase 0.0956687 1 1
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0322685 0.273741 0.262341
Loa Loa (eye worm) p53BP2 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0419893 0.385094 0.375443
Onchocerca volvulus 0.0330503 0.282697 1
Onchocerca volvulus Putative cortactin 0.0322685 0.273741 0.966487
Brugia malayi serine/threonine protein kinase 6 0.0956687 1 1
Trypanosoma brucei aurora B kinase 0.0956687 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0419893 0.385094 0.375443
Schistosoma mansoni run and tbc1 domain containing 0.0322685 0.273741 0.262341
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0419893 0.385094 0.375443
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Loa Loa (eye worm) AUR protein kinase 0.0956687 1 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0956687 1 0.5
Echinococcus granulosus c src tyrosine kinase 0.0419893 0.385094 0.375443
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Brugia malayi Peripheral plasma membrane protein CASK 0.0322685 0.273741 0.262341
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0322685 0.273741 0.262341
Schistosoma mansoni formin binding protein and related proteins 0.0322685 0.273741 0.262341
Echinococcus granulosus tyrosine protein kinase Fyn 0.0419893 0.385094 0.375443
Echinococcus multilocularis transfer RNA-Ala 0.0322685 0.273741 0.262341
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Entamoeba histolytica protein kinase, putative 0.0956687 1 1
Brugia malayi serine/threonine kinase 12 0.0956687 1 1
Schistosoma mansoni tyrosine kinase 0.0419893 0.385094 0.375443
Loa Loa (eye worm) protein kinase C and casein kinase substrate in neurons protein 2 0.0322685 0.273741 0.262341
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0398584 0.360684 0.350649
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Echinococcus multilocularis epidermal growth factor receptor kinase 0.0322685 0.273741 0.262341
Brugia malayi Src substrate cortactin 0.0322685 0.273741 0.262341
Entamoeba histolytica protein kinase, putative 0.0322685 0.273741 0.273741
Brugia malayi Myosin tail family protein 0.0322685 0.273741 0.262341
Echinococcus granulosus tyrosine protein kinase Lyn 0.0427711 0.39405 0.384539
Entamoeba histolytica hypothetical protein, conserved 0.0322685 0.273741 0.273741
Entamoeba histolytica hypothetical protein, conserved 0.0322685 0.273741 0.273741
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0956687 1 1
Echinococcus multilocularis aurora kinase A 0.0956687 1 1
Loa Loa (eye worm) AUR protein kinase 0.0956687 1 1
Echinococcus granulosus nostrin 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0419893 0.385094 0.375443
Entamoeba histolytica unconventional myosin IB 0.0322685 0.273741 0.273741
Schistosoma mansoni sh3-containing grb2-like protein 1 (endophilin II) 0.0322685 0.273741 0.262341
Entamoeba histolytica BAR/SH3 domain containing protein 0.0322685 0.273741 0.273741
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0419893 0.385094 0.375443
Loa Loa (eye worm) guanylate kinase 0.0322685 0.273741 0.262341
Onchocerca volvulus LIM and SH3 domain protein homolog 0.0322685 0.273741 0.966487
Schistosoma mansoni tyrosine kinase 0.0419893 0.385094 0.375443
Echinococcus granulosus intersectin 2 0.0322685 0.273741 0.262341
Schistosoma mansoni serine/threonine protein kinase 0.0956687 1 1
Echinococcus granulosus fch and double sh3 domains protein 2 0.0322685 0.273741 0.262341
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0419893 0.385094 0.375443
Brugia malayi SRC-1 0.0419893 0.385094 0.375443
Schistosoma mansoni signal transducing adapter molecule (stam) 0.0322685 0.273741 0.262341
Brugia malayi Variant SH3 domain containing protein 0.0322685 0.273741 0.262341
Echinococcus granulosus rho guanine nucleotide exchange factor 7 0.0322685 0.273741 0.262341
Schistosoma mansoni adapter molecule crk 0.0398584 0.360684 0.350649
Onchocerca volvulus 0.0322685 0.273741 0.966487
Echinococcus multilocularis rho guanine nucleotide exchange factor 7 0.0322685 0.273741 0.262341
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Echinococcus granulosus slit robo rho gtpase activating protein 1 0.0322685 0.273741 0.262341
Leishmania major protein kinase, putative 0.0956687 1 1
Schistosoma mansoni nck2/grb4 0.0398584 0.360684 0.350649
Entamoeba histolytica protein kinase domain containing protein 0.0956687 1 1
Echinococcus granulosus src region 0.0322685 0.273741 0.262341
Echinococcus multilocularis expressed protein 0.0322685 0.273741 0.262341
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0322685 0.273741 0.262341
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0398584 0.360684 0.350649
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0419893 0.385094 0.375443
Brugia malayi Guanylate kinase family protein 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0419893 0.385094 0.375443
Trichomonas vaginalis AGC family protein kinase 0.0956687 1 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0398584 0.360684 0.350649
Schistosoma mansoni serine/threonine protein kinase 0.0343994 0.298151 0.287134
Brugia malayi Variant SH3 domain containing protein 0.0398584 0.360684 0.350649
Echinococcus multilocularis growth factor receptor bound protein 2 0.0398584 0.360684 0.350649
Echinococcus multilocularis Spectrin alpha actinin 0.0322685 0.273741 0.262341
Plasmodium falciparum serine/threonine protein kinase, putative 0.0956687 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Schistosoma mansoni growth factor receptor-bound protein 0.0398584 0.360684 0.350649
Trypanosoma cruzi aurora B kinase, putative 0.0956687 1 1
Schistosoma mansoni sorting nexin 0.0322685 0.273741 0.262341
Loa Loa (eye worm) protein-tyrosine kinase 0.0322685 0.273741 0.262341
Echinococcus multilocularis endophilin A3 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0419893 0.385094 0.375443
Loa Loa (eye worm) SRC-1 0.0419893 0.385094 0.375443
Echinococcus multilocularis tyrosine protein kinase Abl 0.0419893 0.385094 0.375443
Loa Loa (eye worm) hypothetical protein 0.0322685 0.273741 0.262341
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0419893 0.385094 0.375443
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Entamoeba histolytica SH2-protein kinase domain containing protein 0.00972082 0.0154539 0.0154539
Loa Loa (eye worm) AUR protein kinase 0.0956687 1 1
Brugia malayi Variant SH3 domain containing protein 0.0398584 0.360684 0.350649
Echinococcus granulosus aurora kinase A 0.0956687 1 1
Entamoeba histolytica hypothetical protein 0.0322685 0.273741 0.273741
Schistosoma mansoni cell polarity protein 0.0322685 0.273741 0.262341
Echinococcus granulosus NCK adaptor protein 0.0398584 0.360684 0.350649

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 ChEMBL. 17698258
IC50 (functional) Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 17698258
IC50 (functional) = 0.48 uM Antiprotozoal activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 ChEMBL. 17698258
IC50 (functional) = 70.94 uM Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 17698258

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 17698258

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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