Detailed information for compound 849060

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.422 | Formula: C18H16N6O4S
  • H donors: 5 H acceptors: 6 LogP: 1.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1nnc(s1)NC(=O)Nc1ccccc1)N/N=C/c1ccc(c(c1)O)O
  • InChi: 1S/C18H16N6O4S/c25-13-7-6-11(8-14(13)26)10-19-22-15(27)9-16-23-24-18(29-16)21-17(28)20-12-4-2-1-3-5-12/h1-8,10,25-26H,9H2,(H,22,27)(H2,20,21,24,28)/b19-10+
  • InChiKey: GXAMGFSONOVWCJ-VXLYETTFSA-N  

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
Mycobacterium ulcerans aminopeptidase N PepN 0.0236 0.0484 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0236 0.0484 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0236 0.0484 0.0484
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0236 0.0484 0.0484
Trypanosoma brucei Aminopeptidase M1, putative 0.0236 0.0484 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0236 0.0484 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.0236 0.0484 0.0484
Echinococcus multilocularis leukotriene A 4 hydrolase 0.4433 1 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.0484 0.0484
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0236 0.0484 0.5
Toxoplasma gondii aminopeptidase N protein 0.0236 0.0484 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0236 0.0484 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0139 0.0139
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0484 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.0123 0.0269
Trypanosoma cruzi aminopeptidase, putative 0.0236 0.0484 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0484 0.1058
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Brugia malayi hypothetical protein 0.2038 0.457 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0484 0.5
Loa Loa (eye worm) hypothetical protein 0.0236 0.0484 0.0484
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0236 0.0484 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0236 0.0484 0.5
Brugia malayi TATA binding protein associated factor 0.0236 0.0484 0.1058
Brugia malayi hypothetical protein 0.0236 0.0484 0.1058
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.0123 0.0123
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0236 0.0484 0.5
Loa Loa (eye worm) aminopeptidase N 0.0236 0.0484 0.0484
Entamoeba histolytica aminopeptidase, putative 0.0236 0.0484 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Loa Loa (eye worm) hypothetical protein 0.0236 0.0484 0.0484
Trypanosoma cruzi aminopeptidase, putative 0.0236 0.0484 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0236 0.0484 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0236 0.0484 0.5
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0484 0.1058
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0236 0.0484 0.0484
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0484 0.5
Onchocerca volvulus 0.0236 0.0484 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0236 0.0484 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0236 0.0484 0.5
Brugia malayi hypothetical protein 0.0236 0.0484 0.1058
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.0123 0.0123
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0236 0.0484 0.0484
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0139 0.0139
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.0123 0.0123
Loa Loa (eye worm) leukotriene A4 hydrolase 0.4433 1 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0236 0.0484 0.0484
Onchocerca volvulus 0.0236 0.0484 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0236 0.0484 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Onchocerca volvulus 0.0236 0.0484 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0236 0.0484 1
Echinococcus multilocularis aminopeptidase N 0.0236 0.0484 0.0484
Echinococcus granulosus aminopeptidase N 0.0236 0.0484 0.0484
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0484 0.1058
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.4433 1 1
Trypanosoma brucei aminopeptidase, putative 0.0236 0.0484 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.01 0.01
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0236 0.0484 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0236 0.0484 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0236 0.0484 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0484 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0236 0.0484 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0484 0.0484
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0236 0.0484 0.0484
Mycobacterium ulcerans aminopeptidase N PepN 0.0236 0.0484 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.
 
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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