Detailed information for compound 1812952

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.727 | Formula: C17H13BrClN3S
  • H donors: 1 H acceptors: 1 LogP: 5.63 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nc2c(C)cccc2cc1C1NN=C(C1)c1sccc1Br
  • InChi: 1S/C17H13BrClN3S/c1-9-3-2-4-10-7-11(17(19)20-15(9)10)13-8-14(22-21-13)16-12(18)5-6-23-16/h2-7,13,21H,8H2,1H3
  • InChiKey: DLIIESXZCFYHJU-UHFFFAOYSA-N  

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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0536 0.0126 0.5
Echinococcus multilocularis twik family of potassium channels 0.0536 0.0126 0.0126
Schistosoma mansoni calcium-activated potassium channel 0.0536 0.0126 0.0126
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Echinococcus multilocularis twik family of potassium channels 0.0536 0.0126 0.0126
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0536 0.0126 0.5
Onchocerca volvulus 0.0536 0.0126 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0536 0.0126 0.5
Toxoplasma gondii ion channel protein 0.0536 0.0126 0.5
Echinococcus multilocularis potassium channel subfamily K 8 0.0536 0.0126 0.0126
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.8912 1 1
Echinococcus granulosus potassium channel subfamily K 0.0536 0.0126 0.0126
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0536 0.0126 0.0126
Onchocerca volvulus 0.0536 0.0126 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0536 0.0126 0.5
Onchocerca volvulus 0.0536 0.0126 0.5
Onchocerca volvulus 0.0536 0.0126 0.5
Trypanosoma cruzi ion transport protein, putative 0.0536 0.0126 0.5
Trypanosoma brucei calcium-activated potassium channel, putative 0.0536 0.0126 0.5
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Schistosoma mansoni calcium-activated potassium channel 0.0536 0.0126 0.0126
Trypanosoma cruzi hypothetical protein, conserved 0.0536 0.0126 0.5
Mycobacterium ulcerans ion transport protein 0.0536 0.0126 0.5
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Leishmania major potassium channel subunit-like protein 0.0536 0.0126 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0536 0.0126 0.5
Onchocerca volvulus 0.0536 0.0126 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0536 0.0126 0.0126
Giardia lamblia Hypothetical protein 0.0536 0.0126 0.5
Echinococcus granulosus twik family of potassium channels 0.0536 0.0126 0.0126
Trypanosoma cruzi ion transport protein, putative 0.0536 0.0126 0.5
Schistosoma mansoni hypothetical protein 0.0536 0.0126 0.0126
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.8376 0.9368 0.936
Echinococcus multilocularis small conductance calcium activated potassium 0.0536 0.0126 0.0126
Plasmodium falciparum potassium channel 0.0536 0.0126 0.5
Plasmodium vivax potassium channel, putative 0.0536 0.0126 0.5
Leishmania major hypothetical protein, conserved 0.0536 0.0126 0.5
Onchocerca volvulus 0.0536 0.0126 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0536 0.0126 0.5
Leishmania major ion transport protein-like protein 0.0536 0.0126 0.5
Echinococcus granulosus potassium channel subfamily K 8 0.0536 0.0126 0.0126
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0536 0.0126 0.5
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0536 0.0126 0.5
Onchocerca volvulus 0.0536 0.0126 0.5
Echinococcus granulosus small conductance calcium activated potassium 0.0536 0.0126 0.0126
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0536 0.0126 0.5
Plasmodium falciparum potassium channel 0.0536 0.0126 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.0536 0.0126 0.5
Leishmania major calcium/potassium channel (CAKC), putative 0.0536 0.0126 0.5
Echinococcus multilocularis potassium channel subfamily K 0.0536 0.0126 0.0126
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0536 0.0126 0.5
Schistosoma mansoni twik family of potassium channels-related 0.8912 1 1
Onchocerca volvulus 0.0536 0.0126 0.5
Echinococcus multilocularis potassium channel subfamily K 8 0.0536 0.0126 0.0126
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0536 0.0126 0.0126
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0536 0.0126 0.5
Loa Loa (eye worm) hypothetical protein 0.8912 1 1
Schistosoma mansoni twik family of potassium channels-related 0.0536 0.0126 0.0126
Echinococcus granulosus potassium channel subfamily K 8 0.0536 0.0126 0.0126
Leishmania major hypothetical protein, conserved 0.0536 0.0126 0.5
Echinococcus granulosus twik family of potassium channels 0.0536 0.0126 0.0126
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0536 0.0126 0.5
Echinococcus multilocularis calcium activated potassium channel variant 0.0536 0.0126 0.0126
Echinococcus granulosus calcium activated potassium channel variant 0.0536 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0536 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.8912 1 1
Toxoplasma gondii ion channel protein 0.0536 0.0126 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0536 0.0126 0.5
Echinococcus granulosus Two pore potassium channel protein sup 9 0.8912 1 1
Plasmodium vivax potassium channel, putative 0.0536 0.0126 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.94 ug ml-1 Antileishmanial activity against promastigotes form of Leishmania major after 72 hr by cell counting using neubaur chamber ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania major ChEMBL23

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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