Detailed information for compound 889944

Basic information

Technical information
  • TDR Targets ID: 889944
  • Name: ChemDiv1_020627
  • MW: 415.441 | Formula: C15H17N3O7S2
  • H donors: 5 H acceptors: 7 LogP: -1.35 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNS(=O)(=O)c1cc(c2c3c1cccc3c(=O)[nH]2)S(=O)(=O)NCCO
  • InChi: 1S/C15H17N3O7S2/c19-6-4-16-26(22,23)11-8-12(27(24,25)17-5-7-20)14-13-9(11)2-1-3-10(13)15(21)18-14/h1-3,8,16-17,19-20H,4-7H2,(H,18,21)
  • InChiKey: FCZCWTQRSHOQMN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • T0504-5743
  • ZINC01773992

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 voltage and ligand gated potassium channel, putative 0.0142 0.2481 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0483 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0327 0.0327
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.002 0.002
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0132 0.226 0.226
Onchocerca volvulus 0.0029 0 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.002 0.002
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.002 0.002
Onchocerca volvulus 0.0029 0 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0483 1 1
Onchocerca volvulus 0.0029 0 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0152 0.2701 0.2701
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.003 0.002 0.002
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0152 0.2701 0.2701
Onchocerca volvulus 0.0029 0 0.5
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0483 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0152 0.2701 0.2701
Schistosoma mansoni hypothetical protein 0.0483 1 1
Onchocerca volvulus 0.0029 0 0.5
Onchocerca volvulus 0.0029 0 0.5
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0483 1 1
Schistosoma mansoni hypothetical protein 0.0483 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0483 1 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.003 0.002 0.002
Echinococcus multilocularis voltage gated potassium channel 0.0044 0.0327 0.0327
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.003 0.002 0.002
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0029 0 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.002 0.002
Onchocerca volvulus 0.0029 0 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.002 0.002
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.002 0.002
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0483 1 1
Onchocerca volvulus 0.0029 0 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.002 0.002
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.002 0.002
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.002 0.002
Onchocerca volvulus 0.0029 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0166 0.3008 0.3008
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0152 0.2701 0.2701
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0044 0.0327 0.0327
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.003 0.002 0.002
Onchocerca volvulus 0.0029 0 0.5
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.003 0.002 0.002
Onchocerca volvulus 0.0029 0 0.5
Onchocerca volvulus 0.0029 0 0.5
Onchocerca volvulus 0.0029 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0166 0.3008 0.3008
Loa Loa (eye worm) apoptosis regulator protein 0.0483 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0327 0.0327
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0327 0.0327
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.002 0.002
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Onchocerca volvulus 0.0029 0 0.5
Onchocerca volvulus 0.0029 0 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.002 0.002
Schistosoma mansoni apoptosis regulator bax 0.0483 1 1
Onchocerca volvulus 0.0029 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.003 0.002 0.002
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0142 0.2481 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.002 0.002
Onchocerca volvulus Neuropeptide F receptor homolog 0.0029 0 0.5
Echinococcus granulosus voltage gated potassium channel 0.0044 0.0327 0.0327
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0483 1 1
Onchocerca volvulus 0.0029 0 0.5

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.