Detailed information for compound 1866197

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.408 | Formula: C19H16N2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)Nc1cccc(c1)NC(=O)c1cccs1
  • InChi: 1S/C19H16N2O2S/c1-13-5-2-6-14(11-13)18(22)20-15-7-3-8-16(12-15)21-19(23)17-9-4-10-24-17/h2-12H,1H3,(H,20,22)(H,21,23)
  • InChiKey: GRCJLLALFPJSKP-UHFFFAOYSA-N  


Substructure search Similarity search

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 potassium channel, subfamily K, member 3 Starlite/ChEMBL References
Homo sapiens potassium channel, subfamily K, member 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130595 All targets in OG5_130595
Schistosoma japonicum ko:K05323 potassium channel, subfamily K, invertebrate, putative Get druggable targets OG5_130595 All targets in OG5_130595
Echinococcus multilocularis Two pore potassium channel protein sup 9 Get druggable targets OG5_130595 All targets in OG5_130595
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog Get druggable targets OG5_130595 All targets in OG5_130595
Echinococcus granulosus Two pore potassium channel protein sup 9 Get druggable targets OG5_130595 All targets in OG5_130595
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130595 All targets in OG5_130595
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130595 All targets in OG5_130595
Schistosoma mansoni twik family of potassium channels-related Get druggable targets OG5_130595 All targets in OG5_130595
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 potassium channel, subfamily K, member 3 394 aa 450 aa 24.2 %
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 potassium channel, subfamily K, member 9 374 aa 309 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0462 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0462 1 1
Loa Loa (eye worm) hypothetical protein 0.0462 1 1
Schistosoma mansoni twik family of potassium channels-related 0.0462 1 0.5
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0462 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.005 uM Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay ChEMBL. 25017033
IC50 (functional) 0.007 uM PubChem BioAssay. SAR Analysis for the identification of inhibitors of the two-pore domain potassium channel TASK1 (KCNK3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 0.23 uM PubChem BioAssay. SAR analysis for compounds that inhibit the two-pore domain potassium channel TASK1- Selectivity assay against TASK3 (KCNK9): FluxOR Assay CRC. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 0.33 uM Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay ChEMBL. 25017033
Inhibition (binding) = 94.1 % Inhibition of TASK-1 (unknown origin) expressed in CHO cells at 3 uM by thallium flux assay ChEMBL. 25017033

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.

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