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

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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