Detailed information for compound 1835771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.092 | Formula: C12H18Br2N2O
  • H donors: 2 H acceptors: 0 LogP: 2.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCNCCc1cc(OC)c(cc1Br)Br
  • InChi: 1S/C12H18Br2N2O/c1-17-12-7-9(10(13)8-11(12)14)3-6-16-5-2-4-15/h7-8,16H,2-6,15H2,1H3
  • InChiKey: BRPNWSUCRNKJCO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus serine:threonine protein kinase N2 0.0067 0.123 0.123
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.097 1
Echinococcus multilocularis jun protein 0.0081 0.1573 0.1573
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0312 0.7185 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0312 0.7185 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0067 0.123 1
Echinococcus granulosus thymidylate synthase 0.0118 0.2482 0.2482
Echinococcus multilocularis protein kinase c epsilon type 0.0097 0.1967 0.1967
Brugia malayi protein kinase C II. 0.0097 0.1967 0.1967
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1271 0.1271
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0118 0.2482 0.2482
Echinococcus multilocularis RNA directed DNA polymerase 0.0038 0.0525 0.0525
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1271 0.1271
Loa Loa (eye worm) thymidylate synthase 0.0118 0.2482 0.2482
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0038 0.0525 0.0525
Brugia malayi hypothetical protein 0.0064 0.1149 0.1149
Echinococcus granulosus protein kinase C gamma type 0.0057 0.0987 0.0987
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0312 0.7185 0.5
Brugia malayi Protein kinase c protein 2 0.0053 0.0877 0.0877
Schistosoma mansoni jun-related protein 0.0066 0.1203 0.1203
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0312 0.7185 0.5
Echinococcus granulosus jun protein 0.0081 0.1573 0.1573
Echinococcus granulosus Protein kinase C brain isozyme 0.0069 0.1271 0.1271
Loa Loa (eye worm) hypothetical protein 0.0079 0.1519 0.1519
Echinococcus multilocularis serine:threonine protein kinase N2 0.0083 0.1623 0.1623
Echinococcus multilocularis thymidylate synthase 0.0118 0.2482 0.2482
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0118 0.2482 0.1674
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0312 0.7185 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0525 0.0525
Echinococcus multilocularis protein kinase c iota type 0.0028 0.0284 0.0284
Echinococcus multilocularis serine threonine protein kinase 0.0057 0.0987 0.0987
Echinococcus granulosus protein kinase c iota type 0.0028 0.0284 0.0284
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.1967 0.1967
Brugia malayi thymidylate synthase 0.0118 0.2482 0.2482
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0041 0.0593 0.0593
Schistosoma mansoni atypical protein kinase C 0.0028 0.0284 0.0284
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.1573 0.1573
Schistosoma mansoni hypothetical protein 0.0066 0.1203 0.1203
Brugia malayi bZIP transcription factor family protein 0.0081 0.1573 0.1573
Echinococcus granulosus protein kinase c epsilon type 0.0097 0.1967 0.1967
Echinococcus granulosus RNA directed DNA polymerase 0.0038 0.0525 0.0525
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.1573 0.1573
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0097 0.1967 0.1967
Brugia malayi hypothetical protein 0.0056 0.097 0.097
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0312 0.7185 1
Onchocerca volvulus 0.0118 0.2482 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0069 0.1271 0.1271
Loa Loa (eye worm) hypothetical protein 0.005 0.081 0.081

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.