Detailed information for compound 1153594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.478 | Formula: C17H24BrNOS3
  • H donors: 0 H acceptors: 0 LogP: 4.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[N+](CCOc1ccc(cc1)c1ssc(=S)c1)(CC)CC.[Br-]
  • InChi: 1S/C17H24NOS3.BrH/c1-4-18(5-2,6-3)11-12-19-15-9-7-14(8-10-15)16-13-17(20)22-21-16;/h7-10,13H,4-6,11-12H2,1-3H3;1H/q+1;/p-1
  • InChiKey: ATNISRWAQOQXOX-UHFFFAOYSA-M  


Substructure search Similarity search

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 multilocularis tar DNA binding protein 0.0062 0.2971 0.2971
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2971 0.2971
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1804 0.6074
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2971 0.2971
Schistosoma mansoni hypothetical protein 0.0166 1 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2971 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1804 0.1804
Brugia malayi RNA binding protein 0.0062 0.2971 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1804 0.1804
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1804 0.1804
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1804 0.1804
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1804 0.1804
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2971 0.2971
Brugia malayi TAR-binding protein 0.0062 0.2971 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2971 0.2971
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2971 0.2971
Toxoplasma gondii exonuclease III APE 0.0018 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1804 0.1804
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2971 1
Echinococcus multilocularis geminin 0.0166 1 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.2971 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1804 0.1804
Schistosoma mansoni hypothetical protein 0.0166 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1804 0.6074
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.2971 0.2971
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2971 1

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.