Detailed information for compound 1472436

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 210.294 | Formula: C15H16N+
  • H donors: 0 H acceptors: 0 LogP: 3.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[n+]1ccc(cc1)/C=C/c1ccccc1C
  • InChi: 1S/C15H16N/c1-13-5-3-4-6-15(13)8-7-14-9-11-16(2)12-10-14/h3-12H,1-2H3/q+1/b8-7+
  • InChiKey: XDOZFXDLAWMPJK-BQYQJAHWSA-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
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0036 0.123
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0048
Schistosoma mansoni ap endonuclease 0.0019 0.0023 0.0023
Leishmania major cathepsin L-like protease 0.0066 0.0691 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0036 0.0036
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0617 0.0617
Schistosoma mansoni calcium-activated potassium channel 0.0539 0.7513 0.7513
Brugia malayi hypothetical protein 0.002 0.0036 0.0585
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0564 0.0564
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Schistosoma mansoni loxhd1 0.002 0.0036 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Brugia malayi Kringle domain containing protein 0.0038 0.0293 0.4755
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0617 0.0617
Schistosoma mansoni polycystin 1-related 0.002 0.0036 0.0036
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0023 0.003
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0036 0.0036
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0691 1
Echinococcus granulosus small conductance calcium activated potassium 0.0539 0.7513 0.7513
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0617 0.0617
Schistosoma mansoni hypothetical protein 0.002 0.0036 0.0036
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0036 0.0036
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0617 0.0617
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0023 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0023 0.0327
Brugia malayi Doublecortin family protein 0.002 0.0036 0.0585
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0023 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0609 0.881
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0617 0.0822
Echinococcus multilocularis RUN 0.002 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0165 0.2114 0.2814
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0038 0.0293 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0488 0.7064
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0036 0.0036
Loa Loa (eye worm) doublecortin family protein 0.002 0.0036 0.0048
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0023 1
Brugia malayi Cytochrome P450 family protein 0.0047 0.0415 0.6731
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0023 0.5
Brugia malayi jmjC domain containing protein 0.0061 0.0617 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0023 0.0769
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0023 0.0327
Echinococcus granulosus tissue type plasminogen activator 0.0038 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0183 0.2385 0.3175
Leishmania major cathepsin L-like protease 0.0066 0.0691 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0023 0.0769
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0023 0.0769
Brugia malayi Protein kinase domain containing protein 0.0038 0.0293 0.4755
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0023 0.0023
Onchocerca volvulus 0.0038 0.0293 1
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0691 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0038 0.0293 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0023 0.0366
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0617 0.0617
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0023 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0539 0.7513 0.7513
Schistosoma mansoni lipoxygenase 0.0057 0.0564 0.0564
Schistosoma mansoni ap endonuclease 0.0019 0.0023 0.0023
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0036 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Leishmania major hypothetical protein, conserved 0.0038 0.0293 0.4246
Schistosoma mansoni hypothetical protein 0.0038 0.0293 0.0293
Schistosoma mansoni microtubule-associated protein tau 0.0712 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0539 0.7513 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Brugia malayi hypothetical protein 0.002 0.0036 0.0585
Schistosoma mansoni hypothetical protein 0.0539 0.7513 0.7513
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0617 0.0617
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0023 1
Onchocerca volvulus 0.002 0.0036 0.123
Schistosoma mansoni lipoxygenase 0.002 0.0036 0.0036
Schistosoma mansoni rab6-interacting 0.002 0.0036 0.0036
Toxoplasma gondii kringle domain-containing protein 0.0038 0.0293 1
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0036 0.123
Echinococcus multilocularis microtubule associated protein 2 0.0712 1 1
Schistosoma mansoni rab6-interacting 0.002 0.0036 0.0036
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0691 1
Brugia malayi jmjC domain containing protein 0.0061 0.0617 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.2242 0.2985
Echinococcus multilocularis tissue type plasminogen activator 0.0038 0.0293 0.0293
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0617 0.0617
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Echinococcus granulosus RUN 0.002 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0048
Schistosoma mansoni calcium-activated potassium channel 0.0348 0.4757 0.4757
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0564 0.0564
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0023 0.0327
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0023 0.0327
Onchocerca volvulus 0.002 0.0036 0.123
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0023 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0415 0.0553
Leishmania major cathepsin L-like protease 0.0066 0.0691 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0293 0.0391
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0293 0.4246
Loa Loa (eye worm) TK/ROR protein kinase 0.0038 0.0293 0.0391
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0691 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0023 1
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0691 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.

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