Detailed information for compound 1832926

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.318 | Formula: C18H17Cl2N3OS
  • H donors: 1 H acceptors: 2 LogP: 5.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCSc1nnc([nH]1)Cc1ccc(cc1Oc1ccccc1Cl)Cl
  • InChi: 1S/C18H17Cl2N3OS/c1-2-9-25-18-21-17(22-23-18)10-12-7-8-13(19)11-16(12)24-15-6-4-3-5-14(15)20/h3-8,11H,2,9-10H2,1H3,(H,21,22,23)
  • InChiKey: MSCYDWJPICWVFA-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 D-aminoacylase, putative 0.0041 0.1256 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1256 0.5
Brugia malayi beta-lactamase 0.0041 0.1256 0.2505
Loa Loa (eye worm) hypothetical protein 0.0041 0.1256 0.2505
Onchocerca volvulus 0.0041 0.1256 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1256 0.5
Mycobacterium leprae Probable lipase LipE 0.0041 0.1256 0.5
Loa Loa (eye worm) beta-lactamase 0.0041 0.1256 0.2505
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.1256 0.5
Onchocerca volvulus 0.0041 0.1256 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1256 1
Leishmania major hypothetical protein, conserved 0.0041 0.1256 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1256 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.5014 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1256 0.2505
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.1256 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1256 0.2505
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.1256 1
Brugia malayi beta-lactamase family protein 0.0041 0.1256 0.2505
Plasmodium vivax hypothetical protein, conserved 0.0041 0.1256 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1256 0.2505
Trichomonas vaginalis esterase, putative 0.0041 0.1256 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1256 0.5
Mycobacterium ulcerans beta-lactamase 0.0041 0.1256 0.5
Brugia malayi beta-lactamase family protein 0.0041 0.1256 0.2505
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.1256 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1256 0.5
Mycobacterium ulcerans hypothetical protein 0.0041 0.1256 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1256 0.2505
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.1256 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1256 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1256 0.2505
Toxoplasma gondii ABC1 family protein 0.0041 0.1256 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.1256 0.2505
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1256 0.5
Brugia malayi MH2 domain containing protein 0.0134 0.5014 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0.1256 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.1256 0.2505
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.5014 1
Onchocerca volvulus 0.0041 0.1256 0.5
Mycobacterium ulcerans lipase LipD 0.0041 0.1256 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 134.09 % Anticonvulsant activity in NMRI mouse assessed as pentylenetetrazole-induced clonic seizure threshold at 20 mg/kg, ip administered 60 mins before pentylenetetrazole challenge ChEMBL. 24530225

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

No literature references available for this target.

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