Detailed information for compound 1160672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.37 | Formula: C18H20N3O2+
  • H donors: 0 H acceptors: 1 LogP: 3.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C)C)Oc1cccc(c1)c1cn2c([n+]1C)cccc2C
  • InChi: 1S/C18H20N3O2/c1-13-7-5-10-17-20(4)16(12-21(13)17)14-8-6-9-15(11-14)23-18(22)19(2)3/h5-12H,1-4H3/q+1
  • InChiKey: KOYQPGXMLUUCAK-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
Schistosoma mansoni notch 0.0015 0.0296 0.0262
Echinococcus multilocularis neurogenic locus protein delta 0.0015 0.0296 0.0364
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.004 0.1245 0.1215
Brugia malayi Fibulin-1 precursor 0.004 0.1245 0.1215
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0251 0.0251
Brugia malayi notch-like transmembrane receptor 0.0015 0.0296 0.0262
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1409 0.1915
Schistosoma mansoni slit 0.0015 0.0296 0.0262
Loa Loa (eye worm) Notch2 0.0015 0.0296 0.0262
Echinococcus multilocularis slit 2 protein 0.0015 0.0296 0.0364
Schistosoma mansoni cpg binding protein 0.0062 0.2097 0.207
Echinococcus granulosus slit 2 protein 0.0015 0.0296 0.0364
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0251 0.0251
Echinococcus multilocularis laminin 0.004 0.1245 0.1686
Echinococcus multilocularis protein jagged 1 0.0015 0.0296 0.0364
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0251 0.0251
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Trichomonas vaginalis helicase, putative 0.0014 0.0251 0.0251
Echinococcus multilocularis neurogenic locus protein delta 0.0015 0.0296 0.0364
Brugia malayi Calcium binding EGF domain containing protein 0.0015 0.0296 0.0262
Brugia malayi Calcium binding EGF domain containing protein 0.0015 0.0296 0.0262
Echinococcus multilocularis neurogenic locus notch protein 4 0.0015 0.0296 0.0364
Echinococcus multilocularis notch 0.0015 0.0296 0.0364
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0038 0.5
Brugia malayi Delta serrate ligand family protein 0.0015 0.0296 0.0262
Schistosoma mansoni apoferritin-2 0.0008 0.0038 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Echinococcus granulosus tar DNA binding protein 0.0194 0.7216 1
Echinococcus granulosus protein jagged 2 0.0015 0.0296 0.0364
Schistosoma mansoni notch 0.0015 0.0296 0.0262
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0303 0.027
Echinococcus multilocularis cpg binding protein 0.0065 0.2233 0.3062
Echinococcus granulosus Tolloid protein 1 0.004 0.1245 0.1686
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.7216 0.7207
Mycobacterium ulcerans glutaminase 0.0265 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1245 0.1215
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Echinococcus multilocularis fibropellin Ia 0.0015 0.0296 0.0364
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0448 0.0577
Loa Loa (eye worm) bone morphogenetic protein 1b 0.004 0.1245 0.1215
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.004 0.1245 0.1215
Brugia malayi Calcium binding EGF domain containing protein 0.004 0.1245 0.1215
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1409 0.1409
Toxoplasma gondii calcium binding egf domain-containing protein 0.004 0.1245 0.2328
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0439 0.0406
Trichomonas vaginalis ferritin, putative 0.0008 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.7216 0.7207
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.5489 0.7595
Schistosoma mansoni notch 0.0015 0.0296 0.0262
Echinococcus multilocularis neurogenic locus notch protein 0.0015 0.0296 0.0364
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7216 0.7207
Echinococcus granulosus neurogenic locus notch protein 4 0.0015 0.0296 0.0364
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Echinococcus granulosus neural cadherin 0.0015 0.0296 0.0364
Loa Loa (eye worm) hypothetical protein 0.004 0.1245 0.1215
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.004 0.1245 0.1215
Echinococcus granulosus neurogenic locus notch protein 0.0015 0.0296 0.0364
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Brugia malayi MH2 domain containing protein 0.0123 0.447 0.4451
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.4773 0.4756
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7216 0.7207
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Echinococcus multilocularis neurogenic locus notch protein 0.0015 0.0296 0.0364
Echinococcus granulosus laminin 0.004 0.1245 0.1686
Onchocerca volvulus Arrow homolog 0.004 0.1245 0.527
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Schistosoma mansoni apoferritin-2 0.0008 0.0038 0.0004
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0.0038 0.5
Echinococcus multilocularis protein jagged 1 0.0015 0.0296 0.0364
Loa Loa (eye worm) TAR-binding protein 0.0194 0.7216 0.7207
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) glutaminase 2 0.0265 1 1
Echinococcus multilocularis Tolloid protein 1 0.004 0.1245 0.1686
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1268 0.5
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1268 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.5489 0.5474
Echinococcus multilocularis tar DNA binding protein 0.0194 0.7216 1
Loa Loa (eye worm) glutaminase 0.0265 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Echinococcus granulosus notch 0.0015 0.0296 0.0364
Loa Loa (eye worm) acetyltransferase 0.0149 0.5489 0.5474
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1409 0.1409
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.004 0.1245 0.1215
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0303 0.0374
Schistosoma mansoni ferritin 0.0008 0.0038 0.0004
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Echinococcus granulosus delta-like protein 1 0.0015 0.0296 0.0364
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0303 0.0374
Echinococcus granulosus neurogenic locus protein delta 0.0015 0.0296 0.0364
Loa Loa (eye worm) notch protein 0.0015 0.0296 0.0262
Echinococcus granulosus cpg binding protein 0.0065 0.2233 0.3062
Brugia malayi Calcium binding EGF domain containing protein 0.0015 0.0296 0.0262
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0015 0.0296 0.0262
Echinococcus multilocularis expressed protein 0.0008 0.0038 0.0006
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1409 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.5489 0.5474
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.0038 0.5
Echinococcus granulosus fibropellin Ia 0.0015 0.0296 0.0364
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Echinococcus granulosus protein jagged 1 0.0015 0.0296 0.0364
Loa Loa (eye worm) hypothetical protein 0.004 0.1245 0.1215
Echinococcus multilocularis fibrillin 1 0.004 0.1245 0.1686
Echinococcus multilocularis fat cadherin tumor suppressor 0.0015 0.0296 0.0364
Schistosoma mansoni laminin gamma-3 chain 0.0015 0.0296 0.0262
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0038 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Echinococcus granulosus neurogenic locus notch protein 0.0015 0.0296 0.0364
Schistosoma mansoni notch 0.0015 0.0296 0.0262
Echinococcus granulosus protein jagged 1 0.0015 0.0296 0.0364
Onchocerca volvulus 0.0062 0.2097 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0052 0.0018
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.447 0.4451
Schistosoma mansoni ferritin light chain 0.0008 0.0038 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Schistosoma mansoni egf-like domain protein 0.004 0.1245 0.1215
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0015 0.0296 0.0262
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0448 0.0416
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0251 0.0251
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0448 0.0577
Schistosoma mansoni notch 0.0015 0.0296 0.0262
Trichomonas vaginalis glutaminase, putative 0.0265 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Schistosoma mansoni ferritin light chain 0.0008 0.0038 0.0004
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1409 0.2731
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0251 0.0251
Brugia malayi RNA binding protein 0.0194 0.7216 0.7207
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0251 0.0251
Toxoplasma gondii calcium binding egf domain-containing protein 0.004 0.1245 0.2328
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.004 0.1245 0.1215
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Schistosoma mansoni cpg binding protein 0.0065 0.2233 0.2207
Schistosoma mansoni notch 0.0015 0.0296 0.0262
Schistosoma mansoni hypothetical protein 0.0015 0.0296 0.0262
Schistosoma mansoni septate junction protein 0.0015 0.0296 0.0262
Brugia malayi GCC2 and GCC3 family protein 0.0015 0.0296 0.0262
Loa Loa (eye worm) CXXC zinc finger family protein 0.0062 0.2097 0.207
Schistosoma mansoni glutaminase 0.0265 1 1
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7216 0.7207
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1409 0.2731
Brugia malayi CXXC zinc finger family protein 0.0062 0.2097 0.207
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0038 0.5
Schistosoma mansoni cell polarity protein 0.0015 0.0296 0.0262
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7216 0.7207
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0303 0.0374
Brugia malayi Cadherin domain containing protein 0.0015 0.0296 0.0262
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0251 0.0251
Echinococcus granulosus ferritin 0.0008 0.0038 0.0006
Schistosoma mansoni ferritin 0.0008 0.0038 0.0004
Schistosoma mansoni cpg binding protein 0.0065 0.2233 0.2207
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Echinococcus granulosus protein jagged 2 0.0015 0.0296 0.0364
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0251 0.0251
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0303 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7216 0.7207
Echinococcus granulosus expressed protein 0.0008 0.0038 0.0006
Echinococcus multilocularis neural cadherin 0.0015 0.0296 0.0364
Loa Loa (eye worm) RNA binding protein 0.0194 0.7216 0.7207
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Brugia malayi Cadherin domain containing protein 0.0015 0.0296 0.0262
Echinococcus multilocularis ferritin 0.0008 0.0038 0.0006
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1268 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.004 0.1245 0.1215
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.5327 0.737
Brugia malayi EGF-like domain containing protein 0.0015 0.0296 0.0262
Schistosoma mansoni ferritin 0.0008 0.0038 0.0004
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.447 0.4451
Echinococcus multilocularis protein jagged 2 0.0015 0.0296 0.0364
Brugia malayi Muscle positioning protein 4 0.0015 0.0296 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0296 0.0262
Schistosoma mansoni ferritin 0.0008 0.0038 0.0004
Toxoplasma gondii histone lysine methyltransferase SET1 0.012 0.4374 1
Brugia malayi TAR-binding protein 0.0194 0.7216 0.7207

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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