Detailed information for compound 1760936

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.948 | Formula: C19H18ClN3O2S2
  • H donors: 1 H acceptors: 3 LogP: 4.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)Sc1c(N2CCCNS(=O)(=O)C)nc2c(c1)cccc2
  • InChi: 1S/C19H18ClN3O2S2/c1-27(24,25)21-9-4-10-23-16-8-7-14(20)12-17(16)26-18-11-13-5-2-3-6-15(13)22-19(18)23/h2-3,5-8,11-12,21H,4,9-10H2,1H3
  • InChiKey: OBRJNPVQKURJJW-UHFFFAOYSA-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
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0496 0.2909 0.2909
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.1125 1 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.1125 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0496 0.2909 1
Onchocerca volvulus 0.0285 0.0531 0.5
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.1125 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0285 0.0531 0.5
Echinococcus multilocularis serotonin transporter 0.0285 0.0531 0.0531
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0238 0 0.5
Loa Loa (eye worm) PDE1B protein 0.0496 0.2909 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0238 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0238 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0496 0.2909 0.2909
Echinococcus granulosus serotonin transporter 0.0285 0.0531 0.0531
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0238 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0238 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1125 1 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0496 0.2909 0.2511

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 30.5 % Inhibition of LPS-induced TNFalpha production in human PBMC at 25 ug/mL after overnight incubation relative to DMSO-treated control ChEMBL. 23517733

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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