Detailed information for compound 876952

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.46 | Formula: C24H16N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)Cn1cnc2c(c1=O)c(cs2)c1ccc2c(c1)cccc2
  • InChi: 1S/C24H16N2O3S/c27-23-21-20(19-10-9-16-3-1-2-4-18(16)11-19)13-30-22(21)25-14-26(23)12-15-5-7-17(8-6-15)24(28)29/h1-11,13-14H,12H2,(H,28,29)
  • InChiKey: BWSFPVSTOGEZJN-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 voltage-gated potassium channel 0.0041 0.0162 0.0162
Brugia malayi Peptidase family M1 containing protein 0.01 0.0476 0.1042
Brugia malayi hypothetical protein 0.01 0.0476 0.1042
Trypanosoma cruzi aminopeptidase, putative 0.01 0.0476 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.01 0.0476 1
Loa Loa (eye worm) aminopeptidase N 0.01 0.0476 0.0476
Toxoplasma gondii aminopeptidase N protein 0.01 0.0476 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.01 0.0476 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0143 0.0143
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.01 0.0476 0.5
Brugia malayi hypothetical protein 0.0863 0.4566 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.01 0.0476 0.0476
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0476 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.01 0.0476 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.01 0.0476 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.01 0.0476 0.0476
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0476 0.5
Echinococcus multilocularis aminopeptidase N 0.01 0.0476 0.0476
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1877 1 1
Brugia malayi hypothetical protein 0.01 0.0476 0.1042
Trypanosoma cruzi Aminopeptidase M1, putative 0.01 0.0476 0.5
Entamoeba histolytica aminopeptidase, putative 0.01 0.0476 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.01 0.0476 0.5
Brugia malayi TATA binding protein associated factor 0.01 0.0476 0.1042
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.01 0.0476 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.0476 0.0476
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.01 0.0476 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.01 0.0476 0.0476
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0143 0.0313
Trypanosoma cruzi aminopeptidase, putative 0.01 0.0476 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.01 0.0476 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0143 0.0143
Toxoplasma gondii aminopeptidase n, putative 0.01 0.0476 0.5
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.01 0.0476 0.0476
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1877 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.01 0.0476 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.01 0.0476 1
Brugia malayi Peptidase family M1 containing protein 0.01 0.0476 0.1042
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.01 0.0476 0.5
Toxoplasma gondii aminopeptidase N, putative 0.01 0.0476 0.5
Onchocerca volvulus 0.01 0.0476 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0143 0.0143
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.01 0.0476 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.01 0.0476 1
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0162 0.0162
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Brugia malayi Peptidase family M1 containing protein 0.01 0.0476 0.1042
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.01 0.0476 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Loa Loa (eye worm) peptidase family M1 containing protein 0.01 0.0476 0.0476
Onchocerca volvulus 0.01 0.0476 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.0476 0.0476
Echinococcus granulosus puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0476 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.01 0.0476 0.0476
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.01 0.0476 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.01 0.0476 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.01 0.0476 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0117 0.0117
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.01 0.0476 0.0476
Onchocerca volvulus 0.01 0.0476 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1877 1 1
Echinococcus granulosus aminopeptidase N 0.01 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.01 0.0476 0.0476
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.01 0.0476 0.0476
Trypanosoma brucei aminopeptidase, putative 0.01 0.0476 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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