Detailed information for compound 1726642

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.948 | Formula: C22H14ClN3O3S2
  • H donors: 1 H acceptors: 4 LogP: 5.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(ccc1Oc1ccccc1c1ccccc1)S(=O)(=O)Nc1ncc(s1)Cl
  • InChi: 1S/C22H14ClN3O3S2/c23-21-14-25-22(30-21)26-31(27,28)17-10-11-19(16(12-17)13-24)29-20-9-5-4-8-18(20)15-6-2-1-3-7-15/h1-12,14H,(H,25,26)
  • InChiKey: MUCSAWBTCMRIFZ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sodium channel, voltage-gated, type IX, alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus multilocularis sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania infantum calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania mexicana calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania donovani calcium channel protein, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania major calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit Get druggable targets OG5_126819 All targets in OG5_126819

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
Loa Loa (eye worm) hypothetical protein 0.0122 0.3094 0.1296
Trichomonas vaginalis tubulin epsilon chain, putative 0.0177 0.6486 0.6486
Trichomonas vaginalis tubulin alpha chain, putative 0.0127 0.3392 0.3392
Giardia lamblia Alpha-tubulin 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Entamoeba histolytica tubulin alpha chain, putative 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha chain 0.0177 0.6486 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.6486 0.6486
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.6486 0.6486
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Schistosoma mansoni alpha tubulin 0.0177 0.6486 0.4682
Schistosoma mansoni tubulin subunit alpha 0.0177 0.6486 0.4682
Echinococcus multilocularis Tubulin alpha 1 chain 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Loa Loa (eye worm) tubulin alpha-2 chain 0.0177 0.6486 0.5571
Schistosoma mansoni alpha tubulin 0.0177 0.6486 0.4682
Brugia malayi alpha-tubulin 0.0177 0.6486 0.6486
Loa Loa (eye worm) tubulin alpha chain 0.0177 0.6486 0.5571
Loa Loa (eye worm) tubulin gamma chain 0.0127 0.3392 0.1672
Echinococcus multilocularis Tubulin alpha 1 chain 0.0177 0.6486 0.4682
Loa Loa (eye worm) alpha-tubulin 0.0177 0.6486 0.5571
Brugia malayi Tubulin alpha-2 chain 0.0177 0.6486 0.6486
Echinococcus multilocularis tubulin alpha chain 0.0177 0.6486 0.4682
Echinococcus multilocularis tubulin alpha 1C chain 0.0177 0.6486 0.4682
Brugia malayi Tubulin alpha-2 chain 0.0177 0.6486 0.6486
Echinococcus multilocularis tubulin alpha chain 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha chain 0.0177 0.6486 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.6486 0.6486
Echinococcus multilocularis tubulin alpha chain 0.0177 0.6486 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0177 0.6486 0.4682
Plasmodium falciparum alpha tubulin 2 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0177 0.6486 0.4682
Echinococcus multilocularis peroxisome assembly protein 26 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Echinococcus granulosus Tubulin alpha 1 chain 0.0177 0.6486 0.4682
Loa Loa (eye worm) tubulin alpha 2 0.0122 0.3094 0.1296
Trypanosoma cruzi alpha tubulin, putative 0.0177 0.6486 0.4682
Trypanosoma brucei alpha tubulin 0.0177 0.6486 0.6486
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.6486 0.6486
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.6486 0.6486
Brugia malayi tubulin alpha chain - mouse 0.0177 0.6486 0.6486
Trypanosoma brucei epsilon tubulin 0.0127 0.3392 0.3392
Trypanosoma brucei alpha tubulin 0.0177 0.6486 0.6486
Echinococcus granulosus alpha tubulin 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha 3 chain 0.0177 0.6486 0.4682
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0105 0.2066 0.2066
Echinococcus multilocularis tubulin alpha 3 chain 0.0177 0.6486 0.4682
Loa Loa (eye worm) hypothetical protein 0.0177 0.6486 0.5571
Trichomonas vaginalis tubulin epsilon chain, putative 0.0177 0.6486 0.6486
Trypanosoma brucei tubulin gamma chain 0.0127 0.3392 0.3392
Echinococcus multilocularis tubulin alpha chain 0.0177 0.6486 0.4682
Echinococcus granulosus peroxisome assembly protein 26 0.0177 0.6486 0.4682
Echinococcus multilocularis tubulin subunit TubB 0.0177 0.6486 0.4682
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0122 0.3094 0.3094
Echinococcus granulosus tubulin alpha chain 0.0177 0.6486 0.4682
Entamoeba histolytica tubulin alpha-1 chain 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Brugia malayi Tubulin gamma chain 0.0127 0.3392 0.3392
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin subunit TubB 0.0177 0.6486 0.4682
Trypanosoma brucei epsilon tubulin 0.0127 0.3392 0.3392
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Echinococcus multilocularis tubulin alpha 1C chain 0.0177 0.6486 0.4682
Echinococcus granulosus Tubulin alpha 1 chain 0.0177 0.6486 0.4682
Schistosoma mansoni alpha tubulin 0.0177 0.6486 0.4682
Brugia malayi Tubulin alpha chain 0.0177 0.6486 0.6486
Giardia lamblia Alpha-tubulin 0.0177 0.6486 0.4682
Toxoplasma gondii alpha tubulin TUBA1 0.0177 0.6486 0.4682
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0177 0.6486 0.6486
Trypanosoma brucei alpha tubulin 0.0177 0.6486 0.6486
Loa Loa (eye worm) tubulin alpha 2 0.0122 0.3094 0.1296
Trichomonas vaginalis tubulin gamma chain, putative 0.0127 0.3392 0.3392
Echinococcus granulosus Tubulin alpha 1 chain 0.0177 0.6486 0.4682
Toxoplasma gondii alpha-tubulin I, putative 0.0177 0.6486 0.4682
Trypanosoma brucei epsilon tubulin 0.0127 0.3392 0.3392
Loa Loa (eye worm) tubulin alpha chain 0.0177 0.6486 0.5571
Brugia malayi tubulin alpha-2 chain 0.0177 0.6486 0.6486
Echinococcus multilocularis tubulin alpha chain 0.0177 0.6486 0.4682
Trypanosoma brucei alpha tubulin 0.0177 0.6486 0.6486
Loa Loa (eye worm) alpha-tubulin 0.0177 0.6486 0.5571
Trichomonas vaginalis tubulin gamma chain, putative 0.0127 0.3392 0.3392
Echinococcus multilocularis hypothetical protein 0.0177 0.6486 0.4682
Trypanosoma brucei beta tubulin 0.0127 0.3392 0.3392
Plasmodium falciparum alpha tubulin 1 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Echinococcus multilocularis tubulin alpha 3 chain 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha chain 0.0177 0.6486 0.4682
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0122 0.3094 0.1296
Echinococcus granulosus tubulin alpha chain 0.0177 0.6486 0.4682
Schistosoma mansoni tubulin subunit alpha 0.0177 0.6486 0.4682
Schistosoma mansoni tubulin subunit alpha 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Leishmania major alpha tubulin 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0177 0.6486 0.4682
Echinococcus multilocularis Tubulin alpha 1 chain 0.0177 0.6486 0.4682
Echinococcus granulosus tubulin alpha 3 chain 0.0177 0.6486 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0177 0.6486 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0177 0.6486 0.6486
Leishmania major alpha tubulin 0.0177 0.6486 0.4682

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.0506 Inhibition of NaV1.7 ion channel (unknown origin) ChEMBL. 23177785

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

1 literature reference was collected for this gene.

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