Detailed information for compound 814617

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.574 | Formula: C26H25N5O2S
  • H donors: 1 H acceptors: 4 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(s1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1ccc(cc1)n1cncc1
  • InChi: 1S/C26H25N5O2S/c1-17-3-8-24(34-17)25(32)29-14-23-18(2)28-13-20-15-30(11-9-22(20)23)26(33)19-4-6-21(7-5-19)31-12-10-27-16-31/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,29,32)
  • InChiKey: WQIHHCQENWSVEO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Brugia malayi hypothetical protein 0.0064 0.3886 0.3886
Onchocerca volvulus Peroxidase homolog 0.0064 0.3886 0.3163
Echinococcus multilocularis lamin 0.0026 0.1057 0.199
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1706 0.3274
Echinococcus granulosus intermediate filament protein 0.0026 0.1057 0.199
Brugia malayi Animal haem peroxidase family protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.3886 0.3886
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0798 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1057 0.1057
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0798 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.1706 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0798 0.5
Onchocerca volvulus Peroxidase homolog 0.0064 0.3886 0.3163
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1057 0.1057
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0798 1
Onchocerca volvulus 0.0064 0.3886 0.3163
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0798 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.1706 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Onchocerca volvulus 0.0146 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1706 0.1604
Echinococcus multilocularis L aminoadipate semialdehyde 0.008 0.5104 1
Echinococcus multilocularis lamin dm0 0.0026 0.1057 0.199
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Brugia malayi hypothetical protein 0.0035 0.1706 0.1706
Echinococcus granulosus lamin dm0 0.0026 0.1057 0.199
Brugia malayi Blistered cuticle protein 3 0.0064 0.3886 0.3886
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.008 0.5104 1
Echinococcus granulosus lamin 0.0026 0.1057 0.199
Trypanosoma cruzi cytochrome P450, putative 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0798 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0798 1
Brugia malayi Animal haem peroxidase family protein 0.0064 0.3886 0.3886
Entamoeba histolytica hypothetical protein 0.0035 0.1706 1
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.3886 0.3886
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0798 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0064 0.3886 0.3886
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0798 1
Echinococcus multilocularis peroxidasin 0.0064 0.3886 0.7589
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Onchocerca volvulus 0.0064 0.3886 0.3163
Brugia malayi Animal haem peroxidase family protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.008 0.5104 0.5104
Brugia malayi Animal haem peroxidase family protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0026 0.1057 0.1057
Brugia malayi Animal haem peroxidase family protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.3886 0.3886
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.7715 0.7715
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Onchocerca volvulus 0.008 0.5104 0.4525
Brugia malayi intermediate filament protein 0.0026 0.1057 0.1057
Echinococcus multilocularis musashi 0.0026 0.1057 0.199
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Echinococcus granulosus L aminoadipate semialdehyde 0.008 0.5104 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0016
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0798 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1057 0.1057
Onchocerca volvulus Peroxidasin homolog 0.0064 0.3886 0.3163
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1706 0.3274
Schistosoma mansoni peroxidasin 0.0064 0.3886 0.699
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0155 0.0155
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.008 0.5104 0.5104
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0798 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Schistosoma mansoni peroxidasin 0.0064 0.3886 0.699
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0798 0.5
Onchocerca volvulus Peroxidasin homolog 0.0064 0.3886 0.3163
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.7715 0.7715
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0026 0.1021 0.1021
Schistosoma mansoni hypothetical protein 0.0035 0.1706 0.1604
Brugia malayi Peroxidasin 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Loa Loa (eye worm) hypothetical protein 0.0013 0.0051 0.0051
Onchocerca volvulus Chorion peroxidase homolog 0.0064 0.3886 0.3163
Onchocerca volvulus Dual oxidase homolog 0.0064 0.3886 0.3163
Trypanosoma cruzi cytochrome P450, putative 0.0012 0 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0155 0.0155
Entamoeba histolytica hypothetical protein 0.0035 0.1706 1
Onchocerca volvulus 0.0064 0.3886 0.3163
Brugia malayi MH2 domain containing protein 0.0115 0.7715 0.7715
Echinococcus granulosus peroxidasin 0.0064 0.3886 0.7589
Loa Loa (eye worm) hypothetical protein 0.0064 0.3886 0.3886
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0798 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.3886 0.3886

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.