Detailed information for compound 2078370

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.89 | Formula: C15H16ClN3OS2
  • H donors: 0 H acceptors: 1 LogP: 2.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n2CCN(CCc2nc2c1scc2)Cc1ccsc1.Cl
  • InChi: 1S/C15H15N3OS2.ClH/c19-15-14-12(3-8-21-14)16-13-1-4-17(5-6-18(13)15)9-11-2-7-20-10-11;/h2-3,7-8,10H,1,4-6,9H2;1H
  • InChiKey: DHUYCGOXFVEXSF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Plasmodium vivax spermidine synthase, putative 0.0177 0.1434 0.4277
Echinococcus multilocularis spermidine synthase 0.0177 0.1434 0.1997
Schistosoma mansoni jumonji/arid domain-containing protein 0.0031 0.0017 0.0146
Leishmania major spermidine synthase 0.0177 0.1434 0.1997
Onchocerca volvulus 0.0058 0.028 0.0096
Trypanosoma cruzi spermidine synthase, putative 0.0177 0.1434 0.1818
Brugia malayi Pre-SET motif family protein 0.0378 0.3377 0.3366
Brugia malayi hypothetical protein 0.0058 0.028 0.0263
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0245 0.0341
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.077 0.7177 1
Brugia malayi hypothetical protein 0.0045 0.0158 0.0141
Echinococcus granulosus geminin 0.0147 0.1144 0.1594
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0378 0.3377 0.3366
Schistosoma mansoni jumonji/arid domain-containing protein 0.0031 0.0017 0.0146
Echinococcus granulosus lysine specific demethylase 5A 0.0031 0.0017 0.0023
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.1061 1 1
Plasmodium vivax SET domain protein, putative 0.0054 0.0245 0.073
Brugia malayi hypothetical protein 0.0058 0.028 0.0263
Loa Loa (eye worm) hypothetical protein 0.0054 0.0245 0.0228
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0045 0.0158 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0054 0.0245 0.214
Schistosoma mansoni hypothetical protein 0.0147 0.1144 1
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0375 0.3352 1
Trypanosoma cruzi spermidine synthase, putative 0.0177 0.1434 0.1818
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0155 0.1226 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0245 0.214
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0054 0.0245 0.0341
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.077 0.7177 0.7172
Trypanosoma cruzi spermidine synthase, putative 0.0177 0.1434 0.1818
Brugia malayi Spermidine synthase 0.0177 0.1434 0.1419
Brugia malayi Pre-SET motif family protein 0.0054 0.0245 0.0228
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.077 0.7177 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0052 0.0226 0.0314
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.077 0.7177 0.7172
Leishmania major S-adenosylmethionine decarboxylase 0.077 0.7177 1
Plasmodium falciparum spermidine synthase 0.0177 0.1434 0.4277
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0245 0.214
Trypanosoma cruzi spermidine synthase, putative 0.0177 0.1434 0.1818
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.077 0.7177 1
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.077 0.7177 1
Mycobacterium ulcerans spermidine synthase 0.0155 0.1226 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0245 0.0341
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.077 0.7177 1
Onchocerca volvulus 0.043 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.028 0.0263
Echinococcus multilocularis geminin 0.0147 0.1144 0.1594
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0083 0.0522 0.0728
Trypanosoma brucei spermidine synthase 0.0177 0.1434 0.1818
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0358 0.3126
Loa Loa (eye worm) hypothetical protein 0.0043 0.014 0.0124
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0083 0.0522 0.0728
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.077 0.7177 1
Entamoeba histolytica hypothetical protein 0.0045 0.0158 0.5
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.077 0.7177 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0054 0.0245 1
Loa Loa (eye worm) hypothetical protein 0.1061 1 1
Echinococcus granulosus spermidine synthase 0.0177 0.1434 0.1997
Trichomonas vaginalis set domain proteins, putative 0.043 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.028 0.0263
Echinococcus multilocularis jumonji domain containing protein 0.0035 0.0061 0.0085
Loa Loa (eye worm) jmjC domain-containing protein 0.0052 0.0226 0.021
Loa Loa (eye worm) spermidine synthase 0.0177 0.1434 0.1419
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0375 0.3352 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0158 0.0141
Schistosoma mansoni hypothetical protein 0.0147 0.1144 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0245 0.214
Echinococcus multilocularis lysine specific demethylase 5A 0.0031 0.0017 0.0023
Echinococcus granulosus jumonji domain containing protein 0.0035 0.0061 0.0085
Loa Loa (eye worm) hypothetical protein 0.1061 1 1
Brugia malayi jmjC domain containing protein 0.0083 0.0522 0.0507
Loa Loa (eye worm) hypothetical protein 0.0058 0.028 0.0263
Schistosoma mansoni hypothetical protein 0.0049 0.0195 0.1701

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.