Detailed information for compound 1666897

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 550.628 | Formula: C22H22N4O7S3
  • H donors: 2 H acceptors: 8 LogP: 1.33 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)NS(=O)(=O)Cc1nnc(o1)CS(=O)(=O)c1c[nH]cc1S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C22H22N4O7S3/c1-15-3-7-17(8-4-15)26-35(29,30)14-22-25-24-21(33-22)13-34(27,28)19-11-23-12-20(19)36(31,32)18-9-5-16(2)6-10-18/h3-12,23,26H,13-14H2,1-2H3
  • InChiKey: ASCPAIPDRBERDD-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
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0007 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0007 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.045 0.045
Plasmodium vivax phosphodiesterase gamma, putative 0.0007 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.045 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.045 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.045 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.045 0.045
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.045 0.045
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.045 0.045
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.045 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0007 0 0.5
Schistosoma mansoni coup transcription factor 0.0011 0.045 0.045
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.045 1
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.045 0.045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.045 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.045 0.045
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0007 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0007 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.045 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.045 0.045
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.045 0.045
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.045 1
Leishmania major hypothetical protein, conserved 0.0007 0 0.5
Onchocerca volvulus 0.0011 0.045 0.5
Schistosoma mansoni thyroid hormone receptor 0.0011 0.045 0.045
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.045 0.045
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0007 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.045 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Giardia lamblia Hypothetical protein 0.0007 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.045 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi nuclear hormone receptor 0.0011 0.045 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0079 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Leishmania major cAMP-specific phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.045 0.045
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0079 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.045 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.045 0.045
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.045 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.045 0.045
Echinococcus granulosus FTZ F1 alpha 0.0011 0.045 0.045
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0079 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.045 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.045 0.045
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.045 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.045 1
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.045 0.045
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.045 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Giardia lamblia hypothetical protein 0.0007 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0007 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.045 0.5
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0007 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.045 0.045
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.045 0.045
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0079 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.045 0.045
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.045 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.045 0.045
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.045 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.045 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.045 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0007 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.045 0.045
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.045 0.045
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0 0.5
Brugia malayi ecdysteroid receptor 0.0011 0.045 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.045 1
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.045 0.045
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.045 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.045 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0011 0.045 0.045
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Leishmania major hypothetical protein, conserved 0.0007 0 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.045 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.045 0.045
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.045 0.045
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0007 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.045 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.045 0.045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.045 0.045
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0007 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0007 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0007 0 0.5
Brugia malayi steroid hormone receptor 0.0011 0.045 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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