Detailed information for compound 1870603

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.323 | Formula: C20H13NO2
  • H donors: 1 H acceptors: 2 LogP: 4.45 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=C(Nc2ccc3c(c2)cccc3)C(=O)c2c1cccc2
  • InChi: 1S/C20H13NO2/c22-19-12-18(20(23)17-8-4-3-7-16(17)19)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21H
  • InChiKey: NBULGNAYTUHIHD-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
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni notch 0.00165983 0.0308765 0.188668
Brugia malayi Animal haem peroxidase family protein 0.00513756 0.163655 0.163562
Trypanosoma brucei ABC transporter, putative 0.00100263 0.00578511 0.5
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Onchocerca volvulus Peroxidasin homolog 0.00513756 0.163655 0.137009
Echinococcus granulosus fibropellin Ia 0.00165983 0.0308765 0.158937
Echinococcus multilocularis notch 0.00165983 0.0308765 0.158937
Brugia malayi Animal haem peroxidase family protein 0.00513756 0.163655 0.163562
Trypanosoma cruzi ATP-binding cassette protein, putative 0.00100263 0.00578511 0.5
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.00100263 0.00578511 0.5
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.00165983 0.0308765 0.188668
Brugia malayi Animal haem peroxidase family protein 0.00513756 0.163655 0.163562
Echinococcus multilocularis fat cadherin tumor suppressor 0.00165983 0.0308765 0.158937
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0270431 1 0.5
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Onchocerca volvulus 0.00513756 0.163655 0.137009
Schistosoma mansoni ABC transporter 0.000854016 0.000110997 0.000678237
Toxoplasma gondii EGF family domain-containing protein 0.00165983 0.0308765 1
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Echinococcus multilocularis neurogenic locus notch protein 0.00165983 0.0308765 0.158937
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.00100263 0.00578511 0.0353495
Brugia malayi Blistered cuticle protein 3 0.00513756 0.163655 0.163562
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Brugia malayi Animal haem peroxidase family protein 0.00513756 0.163655 0.163562
Loa Loa (eye worm) animal heme peroxidase 0.00513756 0.163655 0.163562
Trypanosoma brucei ATP-binding cassette protein, putative 0.00100263 0.00578511 0.5
Echinococcus multilocularis protein jagged 1 0.00165983 0.0308765 0.158937
Echinococcus multilocularis slit 2 protein 0.00165983 0.0308765 0.158937
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) animal heme peroxidase 0.00513756 0.163655 0.163562
Brugia malayi Animal haem peroxidase family protein 0.00513756 0.163655 0.163562
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Loa Loa (eye worm) notch protein 0.00165983 0.0308765 0.0307689
Onchocerca volvulus Dual oxidase homolog 0.00513756 0.163655 0.137009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0270431 1 0.5
Schistosoma mansoni peroxidasin 0.00513756 0.163655 1
Brugia malayi notch-like transmembrane receptor 0.00165983 0.0308765 0.0307689
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) animal heme peroxidase 0.00513756 0.163655 0.163562
Brugia malayi Delta serrate ligand family protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Echinococcus granulosus notch 0.00165983 0.0308765 0.158937
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni notch 0.00165983 0.0308765 0.188668
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Schistosoma mansoni laminin gamma-3 chain 0.00165983 0.0308765 0.188668
Echinococcus granulosus protein jagged 2 0.00165983 0.0308765 0.158937
Trypanosoma cruzi ABC transporter, putative 0.00100263 0.00578511 0.5
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Loa Loa (eye worm) animal heme peroxidase 0.00513756 0.163655 0.163562
Schistosoma mansoni notch 0.00165983 0.0308765 0.188668
Brugia malayi GCC2 and GCC3 family protein 0.00165983 0.0308765 0.0307689
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0270431 1 1
Onchocerca volvulus Peroxidase homolog 0.00513756 0.163655 0.137009
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0270431 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0270431 1 0.5
Brugia malayi Peroxidasin 0.00513756 0.163655 0.163562
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Echinococcus granulosus neurogenic locus notch protein 0.00165983 0.0308765 0.158937
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0270431 1 0.5
Echinococcus granulosus protein jagged 2 0.00165983 0.0308765 0.158937
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Schistosoma mansoni notch 0.00165983 0.0308765 0.188668
Schistosoma mansoni septate junction protein 0.00165983 0.0308765 0.188668
Echinococcus multilocularis neural cadherin 0.00165983 0.0308765 0.158937
Onchocerca volvulus Chorion peroxidase homolog 0.00513756 0.163655 0.137009
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.00100263 0.00578511 0.5
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0270431 1 0.5
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni notch 0.00165983 0.0308765 0.188668
Echinococcus multilocularis neurogenic locus notch protein 4 0.00165983 0.0308765 0.158937
Giardia lamblia High cysteine protein 0.00165983 0.0308765 0.0253462
Brugia malayi Calcium binding EGF domain containing protein 0.00165983 0.0308765 0.0307689
Brugia malayi Calcium binding EGF domain containing protein 0.00165983 0.0308765 0.0307689
Brugia malayi Muscle positioning protein 4 0.00165983 0.0308765 0.0307689
Plasmodium vivax ABC transporter G family member 2, putative 0.00100263 0.00578511 0.5
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0270431 1 1
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Echinococcus granulosus slit 2 protein 0.00165983 0.0308765 0.158937
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0270431 1 1
Echinococcus granulosus peroxidasin 0.00513756 0.163655 1
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Echinococcus multilocularis peroxidasin 0.00513756 0.163655 1
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Echinococcus granulosus delta-like protein 1 0.00165983 0.0308765 0.158937
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0270431 1 1
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Schistosoma mansoni notch 0.00165983 0.0308765 0.188668
Brugia malayi Calcium binding EGF domain containing protein 0.00165983 0.0308765 0.0307689
Echinococcus multilocularis protein jagged 2 0.00165983 0.0308765 0.158937
Echinococcus multilocularis neurogenic locus protein delta 0.00165983 0.0308765 0.158937
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni hypothetical protein 0.00165983 0.0308765 0.188668
Echinococcus granulosus neurogenic locus notch protein 4 0.00165983 0.0308765 0.158937
Schistosoma mansoni slit 0.00165983 0.0308765 0.188668
Brugia malayi hypothetical protein 0.00513756 0.163655 0.163562
Brugia malayi Cadherin domain containing protein 0.00165983 0.0308765 0.0307689
Echinococcus granulosus protein jagged 1 0.00165983 0.0308765 0.158937
Schistosoma mansoni peroxidasin 0.00513756 0.163655 1
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) blistered cuticle protein 3 0.00513756 0.163655 0.163562
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Brugia malayi Cadherin domain containing protein 0.00165983 0.0308765 0.0307689
Schistosoma mansoni cell polarity protein 0.00165983 0.0308765 0.188668
Onchocerca volvulus 0.0270431 1 1
Echinococcus multilocularis protein jagged 1 0.00165983 0.0308765 0.158937
Plasmodium falciparum ABC transporter G family member 2 0.00100263 0.00578511 0.5
Onchocerca volvulus 0.00513756 0.163655 0.137009
Echinococcus granulosus neurogenic locus protein delta 0.00165983 0.0308765 0.158937
Echinococcus granulosus protein jagged 1 0.00165983 0.0308765 0.158937
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) Notch2 0.00165983 0.0308765 0.0307689
Onchocerca volvulus 0.00513756 0.163655 0.137009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0270431 1 0.5
Echinococcus multilocularis fibropellin Ia 0.00165983 0.0308765 0.158937
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0270431 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.00165983 0.0308765 0.158937
Onchocerca volvulus Peroxidase homolog 0.00513756 0.163655 0.137009
Echinococcus granulosus neurogenic locus notch protein 0.00165983 0.0308765 0.158937
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Brugia malayi EGF-like domain containing protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Loa Loa (eye worm) hypothetical protein 0.00165983 0.0308765 0.0307689
Echinococcus multilocularis neurogenic locus protein delta 0.00165983 0.0308765 0.158937
Echinococcus granulosus neural cadherin 0.00165983 0.0308765 0.158937
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0270431 1 1
Loa Loa (eye worm) hypothetical protein 0.00513756 0.163655 0.163562
Onchocerca volvulus Peroxidasin homolog 0.00513756 0.163655 0.137009

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.02 uM Trypanocidal activity against epimastigote stage of Trypanosoma cruzi infected in african green monkey Vero cells assessed as cell viability after 24 hrs by MTT assay ChEMBL. 25127463
Inhibition (functional) = 86.02 % Trypanocidal activity against trypomastigote form of Trypanosoma cruzi infected in african green monkey Vero cells assessed as cell viability after 5 to 7 days by MTT assay ChEMBL. 25127463

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23 25127463

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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