Detailed information for compound 879664

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.469 | Formula: C19H24N2O6S
  • H donors: 1 H acceptors: 3 LogP: 1.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@H](NC(=O)C)CCCCN1C(=O)CSC1c1cccc2c1OCO2
  • InChi: 1S/C19H24N2O6S/c1-12(22)20-14(19(24)25-2)7-3-4-9-21-16(23)10-28-18(21)13-6-5-8-15-17(13)27-11-26-15/h5-6,8,14,18H,3-4,7,9-11H2,1-2H3,(H,20,22)/t14-,18?/m0/s1
  • InChiKey: AFTWJGWENGKXNK-PIVQAISJSA-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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0108 0.0108
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0108 0.0108
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0225
Plasmodium vivax SET domain protein, putative 0.0031 0.0514 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0108 0.0098
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.4178 0.4178
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0108 0.0098
Echinococcus granulosus calcium release activated calcium channel 0.0517 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0316 0.0316
Brugia malayi ecdysteroid receptor 0.0011 0.0108 0.0108
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0316 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0308 0.5908 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0601 0.0601
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0225 0.0225
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0108 0.0098
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0225 0.0215
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0316 0.0306
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0108 0.0108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.001 0.001
Echinococcus granulosus Smad4 0.0009 0.008 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0108 0.0108
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.001 0.001
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0514 0.0504
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0108 0.0108
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0108 0.0098
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0512 0.9897 0.9897
Brugia malayi nuclear hormone receptor 0.0011 0.0108 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0108 0.0108
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0108 0.0098
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.5908 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0514 0.0504
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0108 0.0098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0108 0.0108
Schistosoma mansoni smad 0.0009 0.008 0.007
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0316 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0316 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0316 0.0316
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0108 0.0098
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.001
Brugia malayi MH1 domain containing protein 0.0009 0.008 0.008
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.008 0.008
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0108 0.0108
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0108 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0108 0.0108
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0108 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0517 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0108 0.0108
Schistosoma mansoni Smad4 0.0009 0.008 0.007
Brugia malayi MH2 domain containing protein 0.0009 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0925 0.0925
Schistosoma mansoni Protein orai-1 0.0517 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0925 0.0925
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0108 0.0098
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0316 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0601 0.0591
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0492 0.0482
Schistosoma mansoni hypothetical protein 0.0017 0.0225 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0108 0.0108
Echinococcus granulosus GPCR family 2 0.0017 0.0225 0.0215
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0514 0.0504
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0316 0.5
Echinococcus granulosus smad 0.0009 0.008 0.007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0925 0.0925
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0108 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0108 0.0108
Echinococcus multilocularis Smad4 0.0009 0.008 0.007
Brugia malayi nuclear receptor NHR-88 0.0011 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0108 0.0108
Brugia malayi nuclear receptor RXR 0.0006 0.001 0.001
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.2541 0.2541
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.001
Brugia malayi hypothetical protein 0.0006 0.001 0.001
Brugia malayi MH2 domain containing protein 0.0009 0.008 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0225 0.0215
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.008 0.008
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0108 0.0098
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0108 0.0098
Schistosoma mansoni Protein orai-1 0.0517 1 1
Brugia malayi follicle stimulating hormone receptor 0.0512 0.9897 0.9897
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0514 0.0504
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0108 0.0098
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0108 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0108 0.0108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0108 0.0098
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0108 0.0098
Echinococcus multilocularis calcium release activated calcium channel 0.0517 1 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.008 0.007
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0514 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.008 0.007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0108 0.0108
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0108 0.0098
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.008 0.007
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0316 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.015 0.2835 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0108 0.0098
Brugia malayi steroid hormone receptor 0.0011 0.0108 0.0108
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0108 0.0098
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0601 0.0601
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.015 0.2835 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.001
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0108 0.0098
Brugia malayi Pre-SET motif family protein 0.0219 0.4178 0.4178
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0108 0.0108
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0108 0.0108
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0225 0.0215
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0108 0.0098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Schistosoma mansoni ap endonuclease 0.0021 0.0316 0.0306
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0108 0.0098
Brugia malayi MH2 domain containing protein 0.0135 0.2541 0.2541
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0108 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0514 0.0504
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Schistosoma mansoni smad1 5 8 and 0.0009 0.008 0.007
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0514 0.0504
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.5908 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.008 0.007
Giardia lamblia Fructose-bisphosphate aldolase 0.0308 0.5908 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0108 0.0098
Brugia malayi hypothetical protein 0.0006 0.001 0.001
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0108 0.0098
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.001
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0108 0.0098
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0225 0.0215
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.001
Trichomonas vaginalis set domain proteins, putative 0.0249 0.4769 0.7964
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.008 0.007
Brugia malayi MH1 domain containing protein 0.0009 0.008 0.008
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0108 0.0098
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0225 0.0225
Schistosoma mansoni hypothetical protein 0.0017 0.0225 0.0215
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.015 0.2835 1
Schistosoma mansoni hypothetical protein 0.0017 0.0225 0.0215
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.2541 0.2541
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0108 0.0098
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0514 0.0504
Schistosoma mansoni hypothetical protein 0.0017 0.0225 0.0215
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.001 0.001
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0108 0.0098
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0316 0.0306
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.5908 1
Schistosoma mansoni ap endonuclease 0.0021 0.0316 0.0306
Echinococcus multilocularis smad 0.0009 0.008 0.007
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0108 0.0108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0925 0.0925
Brugia malayi Smad1 0.0009 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Brugia malayi Pre-SET motif family protein 0.0031 0.0514 0.0514
Loa Loa (eye worm) Smad1 0.0009 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0108
Schistosoma mansoni coup transcription factor 0.0011 0.0108 0.0098
Loa Loa (eye worm) hypothetical protein 0.0031 0.0514 0.0514
Onchocerca volvulus 0.0249 0.4769 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0108 0.0108
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.008 0.007
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.008 0.007
Onchocerca volvulus 0.0031 0.0514 0.0871
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0108 0.0108
Echinococcus multilocularis GPCR, family 2 0.0017 0.0225 0.0215

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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