Detailed information for compound 1505507

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.874 | Formula: C15H14ClN3O2S2
  • H donors: 0 H acceptors: 4 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nn2c(c1S(=O)(=O)c1ccc(cc1)Cl)nc(cc2C)C
  • InChi: 1S/C15H14ClN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3
  • InChiKey: NBASEYFJBAVLDK-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 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_145685 All targets in OG5_145685
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_145685 All targets in OG5_145685

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
Schistosoma mansoni voltage-gated potassium channel 0.0105 0.0429 0.1286
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0072 0.0096 0.0096
Echinococcus granulosus hyperpolarization activated cyclic 0.0072 0.0096 0.0096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0338 0.2763 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0105 0.0429 0.1428
Schistosoma mansoni voltage-gated potassium channel 0.0395 0.3334 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0105 0.0429 0.0429
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0096 0.0288
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0362 0.3001 0.3001
Loa Loa (eye worm) hypothetical protein 0.0105 0.0429 0.1428
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0362 0.3001 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0072 0.0096 0.0096
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0072 0.0096 0.0288
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0105 0.0429 0.0429
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0072 0.0096 0.032
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0096 0.0288
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0338 0.2763 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0072 0.0096 0.0096
Schistosoma mansoni voltage-gated potassium channel 0.0395 0.3334 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0072 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0314 0.2523 0.8406
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0362 0.3001 0.3001
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0096 0.0288
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0072 0.0096 0.0096
Echinococcus multilocularis hyperpolarization activated cyclic 0.0072 0.0096 0.0096
Schistosoma mansoni voltage-gated potassium channel 0.0105 0.0429 0.1286
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0072 0.0096 0.0288
Echinococcus multilocularis voltage gated potassium channel 0.0105 0.0429 0.0429
Echinococcus granulosus hyperpolarization activated cyclic 0.0072 0.0096 0.0096
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0072 0.0096 0.0096
Echinococcus granulosus voltage gated potassium channel 0.0105 0.0429 0.0429
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0072 0.0096 0.0096
Echinococcus multilocularis hyperpolarization activated cyclic 0.0072 0.0096 0.0096
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0096 0.0288
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0362 0.3001 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0072 0.0096 0.032
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0072 0.0096 0.032
Loa Loa (eye worm) hypothetical protein 0.0072 0.0096 0.032

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 230 nM BindingDB_Patents: Functional Assay. Functional assay using 5-HT6 receptors. ChEMBL. No reference
IC50 (binding) = 230 nM BindingDB_Patents: Functional Assay. Functional assay using 5-HT6 receptors. ChEMBL. No reference
Ki (functional) = 8.5 Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after 2 hrs ChEMBL. 21277782

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.