Detailed information for compound 2069120

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.454 | Formula: C16H25N3O2S
  • H donors: 0 H acceptors: 2 LogP: 1.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1scc(n1)CN1CCCN(CC1)C(=O)C1CCOC1
  • InChi: 1S/C16H25N3O2S/c1-2-15-17-14(12-22-15)10-18-5-3-6-19(8-7-18)16(20)13-4-9-21-11-13/h12-13H,2-11H2,1H3
  • InChiKey: ARLIICMGWZHWKF-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 falciparum thioredoxin reductase 0.0108 0.0561 0.5
Loa Loa (eye worm) hypothetical protein 0.0308 0.5592 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0108 0.0561 0.5
Leishmania major hypothetical protein, conserved 0.0181 0.241 1
Echinococcus granulosus ryanodine receptor 44f 0.0175 0.2263 0.5722
Schistosoma mansoni ryanodine receptor related 0.0316 0.5799 0.7496
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0393 0.7737 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0316 0.5799 0.555
Loa Loa (eye worm) glutathione reductase 0.0108 0.0561 0.1003
Loa Loa (eye worm) thioredoxin reductase 0.0108 0.0561 0.1003
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0266 0.4555 1
Echinococcus multilocularis ryanodine receptor 44f 0.0175 0.2263 0.5722
Toxoplasma gondii thioredoxin reductase 0.0108 0.0561 0.5
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0257 0.4319 0.5582
Plasmodium vivax glutathione reductase, putative 0.0108 0.0561 0.5
Loa Loa (eye worm) hypothetical protein 0.0302 0.5445 0.9738
Echinococcus multilocularis ryanodine receptor 44f 0.0226 0.3536 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.4319 0.7724
Plasmodium falciparum glutathione reductase 0.0108 0.0561 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0108 0.0561 0.5
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0266 0.4555 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.3536 0.6324
Echinococcus granulosus ryanodine receptor 44f 0.0226 0.3536 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.

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