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
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0029 0.422 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.4691 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.4691 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.4691 0.0815
Loa Loa (eye worm) methionine aminopeptidase type I 0.0046 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.4691 0.0815
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.4691 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0029 0.422 0.422
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0046 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.4691 1
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.4691 0.0815
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0029 0.422 0.5
Onchocerca volvulus 0.0031 0.4691 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0046 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0029 0.422 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.4691 1
Schistosoma mansoni thyroid hormone receptor 0.0031 0.4691 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.4691 0.0815
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0046 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0029 0.422 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.4691 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0046 1 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0046 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.4691 0.0815
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0029 0.422 0.422
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.4691 1
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.4691 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0046 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.4691 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.4691 1
Treponema pallidum methionine aminopeptidase (map) 0.0029 0.422 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0046 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.4691 0.0815
Schistosoma mansoni nuclear hormone receptor 0.0031 0.4691 1
Schistosoma mansoni coup transcription factor 0.0031 0.4691 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.4691 0.0815
Trypanosoma brucei methionine aminopeptidase, putative 0.0046 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0029 0.422 0.5
Toxoplasma gondii methionine aminopeptidase 0.0046 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0046 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.4691 0.0815
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.4691 0.5
Toxoplasma gondii methionine aminopeptidase 0.0029 0.422 0.422
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.4691 0.0815
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0046 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0029 0.422 0.5
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0029 0.422 0.422
Schistosoma mansoni thyroid hormone receptor 0.0031 0.4691 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.4691 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0029 0.422 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0029 0.422 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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