Detailed information for compound 2071223

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.486 | Formula: C19H25N3OS
  • H donors: 0 H acceptors: 2 LogP: 2.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(C(=O)N1CCCN(CC1)Cc1ncsc1)C
  • InChi: 1S/C19H25N3OS/c1-15-4-6-17(7-5-15)16(2)19(23)22-9-3-8-21(10-11-22)12-18-13-24-14-20-18/h4-7,13-14,16H,3,8-12H2,1-2H3
  • InChiKey: CYKMLASIBGSUET-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
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0202 0.3271 0.2004
Echinococcus granulosus sterol regulatory element binding protein 0.0202 0.3271 0.2004
Echinococcus multilocularis sterol regulatory element binding protein 0.0202 0.3271 0.2004
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0491 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0183 0.2817 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.023 0.3928 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0183 0.2817 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.3271 0.8327
Loa Loa (eye worm) hypothetical protein 0.0491 1 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0491 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.023 0.3928 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0491 1 1
Onchocerca volvulus 0.013 0.1585 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0491 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0183 0.2817 0.2817
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0202 0.3271 0.2004
Echinococcus granulosus Niemann Pick C1 protein 0.0202 0.3271 0.2004
Brugia malayi thymidylate synthase 0.013 0.1585 0.1585
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0491 1 1
Echinococcus multilocularis protein patched 0.0202 0.3271 0.2004
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.1585 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.023 0.3928 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.013 0.1585 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.3271 0.2004
Schistosoma mansoni patched 1 0.0202 0.3271 0.2004
Echinococcus multilocularis protein dispatched 1 0.0202 0.3271 0.2004
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0183 0.2817 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0202 0.3271 0.2004
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.023 0.3928 0.5
Echinococcus granulosus Protein patched homolog 1 0.0202 0.3271 0.2004
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0491 1 1
Brugia malayi CHE-14 protein 0.0202 0.3271 0.3271
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0491 1 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0491 1 1

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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