Detailed information for compound 879765

Basic information

Technical information
  • TDR Targets ID: 879765
  • Name: ethyl 6-[[8-(3-methoxyphenyl)sulfonyl3,8-diaz aspiro[4.5]decane-3-carbonyl]amino]hexanoate
  • MW: 495.632 | Formula: C24H37N3O6S
  • H donors: 1 H acceptors: 4 LogP: 2.36 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CCCCCNC(=O)N1CCC2(C1)CCN(CC2)S(=O)(=O)c1cccc(c1)OC
  • InChi: 1S/C24H37N3O6S/c1-3-33-22(28)10-5-4-6-14-25-23(29)26-15-11-24(19-26)12-16-27(17-13-24)34(30,31)21-9-7-8-20(18-21)32-2/h7-9,18H,3-6,10-17,19H2,1-2H3,(H,25,29)
  • InChiKey: JFYCYBRXKBHGAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-oxomethyl]amino]hexanoic acid ethyl ester
  • 6-[[8-(3-methoxyphenyl)sulfonyl3,8-diazaspiro[4.5]decane-3-carbonyl]amino]hexanoic acid ethyl ester
  • ethyl 6-[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]carbonylamino]hexanoate

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) hypothetical protein 0.0044 0.0145 0.0256
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0229 0.0422
Brugia malayi Thioredoxin reductase 0.0096 0.0842 0.1658
Brugia malayi chromobox protein homolog 3 0.0044 0.0145 0.0285
Schistosoma mansoni hypothetical protein 0.0167 0.1798 0.1798
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.019 0.0341
Plasmodium vivax glutathione reductase, putative 0.0096 0.0842 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0244 0.2821 1
Echinococcus multilocularis geminin 0.0167 0.1798 0.1798
Plasmodium falciparum glutathione reductase 0.0096 0.0842 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0219 0.2493 0.8837
Trichomonas vaginalis chromobox protein, putative 0.0047 0.019 0.3118
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.085 0.085
Schistosoma mansoni chromobox protein 0.0079 0.0608 0.0608
Onchocerca volvulus Putative organic anion transporter 0.0412 0.5079 1
Echinococcus multilocularis chromobox protein 1 0.0079 0.0608 0.0608
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.0842 1
Echinococcus granulosus chromobox protein 1 0.0079 0.0608 0.0608
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0015 0.003
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.0842 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0079 0.0608 0.1171
Brugia malayi prostaglandin transporter 0.0412 0.5079 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0229 0.0451
Echinococcus multilocularis chromobox protein 1 0.0079 0.0608 0.0608
Schistosoma mansoni hypothetical protein 0.0167 0.1798 0.1798
Trypanosoma brucei trypanothione reductase 0.0096 0.0842 1
Trichomonas vaginalis chromobox protein, putative 0.0047 0.019 0.3118
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0244 0.2821 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0219 0.2493 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0244 0.2821 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0145 0.0252
Echinococcus multilocularis microtubule associated protein 2 0.0779 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0412 0.5079 1
Toxoplasma gondii thioredoxin reductase 0.0096 0.0842 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0219 0.2493 0.8837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0219 0.2493 0.8837
Plasmodium falciparum thioredoxin reductase 0.0096 0.0842 1
Brugia malayi glutathione reductase 0.0096 0.0842 0.1658
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0145 0.238
Echinococcus granulosus chromobox protein 1 0.0079 0.0608 0.0608
Leishmania major trypanothione reductase 0.0096 0.0842 1
Trichomonas vaginalis chromobox protein, putative 0.0079 0.0608 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0145 0.238
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.0842 0.2985
Brugia malayi Heterochromatin protein 1 0.0079 0.0608 0.1197
Loa Loa (eye worm) glutathione reductase 0.0096 0.0842 0.1632
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.085 0.085
Schistosoma mansoni hypothetical protein 0.0034 0.0015 0.0015
Schistosoma mansoni microtubule-associated protein tau 0.0779 1 1
Trichomonas vaginalis chromobox protein, putative 0.0079 0.0608 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0229 0.0422
Mycobacterium tuberculosis Probable reductase 0.0219 0.2493 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.0842 0.1632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0229 0.0451
Echinococcus granulosus geminin 0.0167 0.1798 0.1798
Treponema pallidum NADH oxidase 0.0033 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.0003
Schistosoma mansoni chromobox protein 0.0079 0.0608 0.0608
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0219 0.2493 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0244 0.2821 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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