Detailed information for compound 1161893

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 207.335 | Formula: C12H17NS
  • H donors: 0 H acceptors: 1 LogP: 3.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)SCc1ccccn1
  • InChi: 1S/C12H17NS/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11/h4-6,9,12H,1-3,7-8,10H2
  • InChiKey: FTNKCMPRFVCFRQ-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
Toxoplasma gondii ABC1 family protein 0.0035 0.0814 1
Echinococcus granulosus tar DNA binding protein 0.007 0.2537 0.3654
Loa Loa (eye worm) hypothetical protein 0.0161 0.6943 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 0.5738 0.8264
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0814 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0814 0.1173
Brugia malayi RNA binding protein 0.007 0.2537 0.3654
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0814 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0814 1
Brugia malayi hypothetical protein 0.0136 0.5738 0.8264
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0814 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0814 0.3209
Brugia malayi beta-lactamase family protein 0.0035 0.0814 0.1173
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0814 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0814 0.0814
Onchocerca volvulus Huntingtin homolog 0.0136 0.5738 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0814 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0814 0.3209
Brugia malayi beta-lactamase family protein 0.0035 0.0814 0.1173
Loa Loa (eye worm) RNA binding protein 0.007 0.2537 0.3654
Loa Loa (eye worm) hypothetical protein 0.0035 0.0814 0.1173
Brugia malayi beta-lactamase 0.0035 0.0814 0.1173
Brugia malayi Muscleblind-like protein 0.0161 0.6943 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0814 0.0814
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0814 0.1173
Brugia malayi RNA recognition motif domain containing protein 0.007 0.2537 0.3654
Schistosoma mansoni tar DNA-binding protein 0.007 0.2537 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0814 0.0814
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0814 0.0814
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0814 0.1173
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0814 1
Leishmania major hypothetical protein, conserved 0.0035 0.0814 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0814 0.1173
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0814 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0814 0.1173
Schistosoma mansoni tar DNA-binding protein 0.007 0.2537 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.6943 1
Echinococcus multilocularis muscleblind protein 1 0.0161 0.6943 1
Echinococcus granulosus muscleblind protein 0.0161 0.6943 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0814 0.0814
Schistosoma mansoni tar DNA-binding protein 0.007 0.2537 1
Onchocerca volvulus Huntingtin homolog 0.0136 0.5738 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0814 0.1173
Trichomonas vaginalis esterase, putative 0.0035 0.0814 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0814 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0814 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0814 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0814 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.2537 0.3654
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.2537 0.3654
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0814 0.0814
Mycobacterium tuberculosis Conserved protein 0.0035 0.0814 0.0814
Schistosoma mansoni tar DNA-binding protein 0.007 0.2537 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0814 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.2537 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.0035 0.0814 0.1173
Loa Loa (eye worm) hypothetical protein 0.0035 0.0814 0.1173
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0814 0.0814
Echinococcus multilocularis muscleblind protein 0.0161 0.6943 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0814 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0814 0.1173
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0814 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.2537 0.3654
Mycobacterium ulcerans hypothetical protein 0.0035 0.0814 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.5738 0.8264
Mycobacterium tuberculosis Conserved protein 0.0035 0.0814 0.0814
Brugia malayi TAR-binding protein 0.007 0.2537 0.3654
Loa Loa (eye worm) beta-lactamase 0.0035 0.0814 0.1173

Activities

No activities found for this compound.

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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