Detailed information for compound 816063

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 487.57 | Formula: C27H25N3O4S
  • H donors: 1 H acceptors: 4 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)oc(=O)cc2CC(=O)N1CCc2c(C1)cnc(c2CNC(=O)c1cscc1)C
  • InChi: 1S/C27H25N3O4S/c1-16-3-4-22-19(11-26(32)34-24(22)9-16)10-25(31)30-7-5-21-20(14-30)12-28-17(2)23(21)13-29-27(33)18-6-8-35-15-18/h3-4,6,8-9,11-12,15H,5,7,10,13-14H2,1-2H3,(H,29,33)
  • InChiKey: QOQRKEGAPLBIFB-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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2035 0.2035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2035 0.2035
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.3722 0.3722
Toxoplasma gondii NAC domain-containing protein 0.0041 0.1261 1
Entamoeba histolytica hypothetical protein 0.0041 0.1261 0.3388
Entamoeba histolytica hypothetical protein 0.008 0.3722 1
Loa Loa (eye worm) ICD-1 protein 0.0041 0.1261 0.5413
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0057 0.2262 0.971
Trypanosoma brucei transcription factor BTF3, putative 0.0041 0.1261 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2035 0.2035
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.004 0.1213 0.3259
Brugia malayi hypothetical protein 0.0039 0.1196 0.3212
Loa Loa (eye worm) hypothetical protein 0.0039 0.1197 0.514
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.233 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.233 0.6259
Onchocerca volvulus 0.0056 0.2245 1
Trypanosoma cruzi transcription factor btf3, putative 0.0041 0.1261 1
Entamoeba histolytica hypothetical protein 0.008 0.3722 1
Schistosoma mansoni hypothetical protein 0.0182 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1196 0.5132
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1261 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0039 0.1196 0.3212
Schistosoma mansoni hypothetical protein 0.008 0.3722 0.3722
Loa Loa (eye worm) hypothetical protein 0.0056 0.2245 0.9635
Entamoeba histolytica hypothetical protein 0.008 0.3722 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.2035 0.8734
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2035 0.2035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2035 0.2035
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1197 0.3217
Brugia malayi hypothetical protein 0.004 0.1213 0.3259
Schistosoma mansoni transcription factor LCR-F1 0.008 0.3722 0.3722
Loa Loa (eye worm) hypothetical protein 0.0039 0.1196 0.5132
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.004 0.1213 0.3259
Schistosoma mansoni hypothetical protein 0.0182 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.1197 0.1197
Loa Loa (eye worm) hypothetical protein 0.0058 0.233 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.233 0.6259
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0 0.5
Echinococcus granulosus transcription factor btf3 0.0041 0.1261 0.1261
Entamoeba histolytica transcription factor BTF3, putative 0.0041 0.1261 0.3388
Echinococcus granulosus aryl hydrocarbon receptor 0.0057 0.2262 0.2262
Brugia malayi hypothetical protein 0.0056 0.2245 0.6031
Brugia malayi beta-NAC-like protein 0.0041 0.1261 0.3388
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2035 0.5466
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Echinococcus multilocularis transcription factor btf3 0.0041 0.1261 0.1261
Plasmodium falciparum basic transcription factor 3b, putative 0.0041 0.1261 1
Trypanosoma cruzi transcription factor btf3, putative 0.0041 0.1261 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0057 0.2262 0.2262
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.004 0.1213 0.1213
Loa Loa (eye worm) hypothetical protein 0.0039 0.1196 0.5132
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1261 1
Echinococcus multilocularis geminin 0.0182 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2035 0.2035
Plasmodium vivax basic transcription factor 3b, putative 0.0041 0.1261 1
Schistosoma mansoni transcription factor btf3 0.0041 0.1261 0.1261
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Brugia malayi hypothetical protein 0.008 0.3722 1
Leishmania major basic transcription factor 3a, putative 0.0041 0.1261 1
Entamoeba histolytica hypothetical protein 0.008 0.3722 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1261 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.004 0.1213 0.5207
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.3722 0.3722
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2035 0.2035
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.1196 0.5132

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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