Detailed information for compound 798367

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.446 | Formula: C17H12N6O3S2
  • H donors: 0 H acceptors: 3 LogP: 3.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nsc2=NC(=O)C(=Cc3cccn3c3ccc(cc3)[N+](=O)[O-])C(=N)n12
  • InChi: 1S/C17H12N6O3S2/c1-27-17-20-28-16-19-15(24)13(14(18)22(16)17)9-12-3-2-8-21(12)10-4-6-11(7-5-10)23(25)26/h2-9,18H,1H3/b13-9-,18-14?
  • InChiKey: GNRJUFJBBQKEFE-KXXGJRMMSA-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
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0215 0.0422 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0198 0.0227 0.5
Onchocerca volvulus 0.0178 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.1052 1 1
Echinococcus granulosus acetylcholinesterase 0.1052 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0198 0.0227 0.0227
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0198 0.0227 1
Brugia malayi Methionine aminopeptidase protein type I 0.0215 0.0422 0.0422
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0198 0.0227 0.0227
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0198 0.0227 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0215 0.0422 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0198 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.1052 1 1
Onchocerca volvulus 0.0178 0 0.5
Trypanosoma brucei methionine aminopeptidase, putative 0.0215 0.0422 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0198 0.0227 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0198 0.0227 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0215 0.0422 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0215 0.0422 0.0422
Onchocerca volvulus 0.0178 0 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0215 0.0422 0.0422
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0215 0.0422 1
Echinococcus granulosus carboxylesterase 5A 0.1052 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0198 0.0227 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0178 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.1052 1 1
Onchocerca volvulus 0.0178 0 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0198 0.0227 0.0227
Loa Loa (eye worm) methionine aminopeptidase type I 0.0215 0.0422 0.0422
Echinococcus multilocularis acetylcholinesterase 0.1052 1 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0215 0.0422 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0215 0.0422 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0178 0 0.5
Onchocerca volvulus 0.0178 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.1052 1 1
Loa Loa (eye worm) carboxylesterase 0.1052 1 1
Loa Loa (eye worm) hypothetical protein 0.1052 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1052 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0215 0.0422 0.5
Echinococcus granulosus acetylcholinesterase 0.1052 1 1
Toxoplasma gondii methionine aminopeptidase 0.0215 0.0422 1
Brugia malayi Carboxylesterase family protein 0.1052 1 1
Treponema pallidum methionine aminopeptidase (map) 0.0198 0.0227 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0198 0.0227 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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