Detailed information for compound 1145845

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.28 | Formula: C20H19BrN2O3
  • H donors: 0 H acceptors: 2 LogP: 3.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)c1cc2c(o1)c(C)ncc2CN1CCOCC1
  • InChi: 1S/C20H19BrN2O3/c1-13-20-17(15(11-22-13)12-23-6-8-25-9-7-23)10-18(26-20)19(24)14-2-4-16(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3
  • InChiKey: VDLVJBYQNUQMSK-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
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0044 0.0303 0.0303
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.015 0.1427 0.1641
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0067 0.0556 0.3834
Echinococcus granulosus lamin 0.0028 0.0136 0.0858
Onchocerca volvulus 0.0028 0.0136 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0136 0.0136
Echinococcus multilocularis ornithine aminotransferase 0.0044 0.0303 0.0335
Mycobacterium tuberculosis Probable aminotransferase 0.0306 0.3075 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0014
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0306 0.3075 1
Echinococcus granulosus Aminotransferase class III 0.0044 0.0303 0.2043
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0306 0.3075 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0383 0.0383
Onchocerca volvulus 0.0028 0.0136 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0136 0.0136
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.015 0.1427 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0014 0.0014
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.015 0.1427 1
Brugia malayi intermediate filament protein 0.0028 0.0136 0.0136
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0831 0.8621 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0067 0.0556 0.0629
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0044 0.0303 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0213 0.0213
Echinococcus multilocularis Aminotransferase class III 0.0044 0.0303 0.0335
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0067 0.0556 0.0556
Plasmodium falciparum ornithine aminotransferase 0.0044 0.0303 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0556
Mycobacterium ulcerans hypothetical protein 0.0306 0.3075 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0014 0.0014
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0044 0.0303 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0306 0.3075 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0136 0.0858
Echinococcus multilocularis ornithine aminotransferase 0.0044 0.0303 0.0335
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0044 0.0303 0.2043
Loa Loa (eye worm) voltage-gated potassium channel 0.0147 0.14 0.14
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0014 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0383 0.0383
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0044 0.0303 0.5
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.015 0.1427 0.1427
Plasmodium vivax ornithine aminotransferase, putative 0.0044 0.0303 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.013 0.013
Schistosoma mansoni lamin 0.0028 0.0136 0.0858
Schistosoma mansoni lamin 0.0028 0.0136 0.0858
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.0383
Schistosoma mansoni hypothetical protein 0.0035 0.0213 0.1403
Loa Loa (eye worm) hypothetical protein 0.0028 0.0136 0.0136
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0962 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0383 0.0383
Schistosoma mansoni intermediate filament proteins 0.0028 0.0136 0.0858
Echinococcus multilocularis lamin 0.0028 0.0136 0.0141
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0067 0.0556 0.0556
Echinococcus multilocularis lamin dm0 0.0028 0.0136 0.0141
Echinococcus granulosus ornithine aminotransferase 0.0044 0.0303 0.2043
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0306 0.3075 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0136 0.0136
Echinococcus multilocularis musashi 0.0028 0.0136 0.0141
Echinococcus granulosus lamin dm0 0.0028 0.0136 0.0858

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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