Detailed information for compound 865730

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 522.19 | Formula: C20H18Br2N4O3
  • H donors: 1 H acceptors: 2 LogP: 4.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc2c(c1)c(N=NC(=O)c1ccccc1Br)c(n2CN1CCOCC1)O
  • InChi: 1S/C20H18Br2N4O3/c21-13-5-6-17-15(11-13)18(20(28)26(17)12-25-7-9-29-10-8-25)23-24-19(27)14-3-1-2-4-16(14)22/h1-6,11,28H,7-10,12H2
  • InChiKey: WNXDGFDCZSRIFC-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 coup transcription factor 0.0031 0.4691 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.4691 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0029 0.422 0.422
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0046 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.4691 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.4691 0.0815
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0029 0.422 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.4691 0.0815
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0046 1 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0046 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0029 0.422 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0046 1 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0046 1 1
Toxoplasma gondii methionine aminopeptidase 0.0029 0.422 0.422
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.4691 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0029 0.422 0.422
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.4691 0.0815
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.4691 0.0815
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0029 0.422 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.4691 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0046 1 1
Schistosoma mansoni thyroid hormone receptor 0.0031 0.4691 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0029 0.422 0.5
Trypanosoma brucei methionine aminopeptidase, putative 0.0046 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.4691 1
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.4691 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0046 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.4691 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.4691 1
Toxoplasma gondii methionine aminopeptidase 0.0046 1 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0046 1 1
Mycobacterium ulcerans methionine aminopeptidase 0.0029 0.422 0.5
Onchocerca volvulus 0.0031 0.4691 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0029 0.422 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0029 0.422 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.4691 0.0815
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.4691 0.0815
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.4691 1
Schistosoma mansoni nuclear hormone receptor 0.0031 0.4691 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0029 0.422 0.422
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0046 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.4691 0.0815
Schistosoma mansoni thyroid hormone receptor 0.0031 0.4691 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0029 0.422 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0046 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.4691 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.4691 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0029 0.422 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.4691 0.0815
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.4691 0.0815
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.4691 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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