Detailed information for compound 2066967

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.428 | Formula: C15H24N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(CN1CCN(CC1)C(=O)c1sccc1CC)O
  • InChi: 1S/C15H24N2O2S/c1-3-12-5-10-20-14(12)15(19)17-8-6-16(7-9-17)11-13(18)4-2/h5,10,13,18H,3-4,6-9,11H2,1-2H3
  • InChiKey: BCNZCKLJULMVPG-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
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.0577 0.1171
Loa Loa (eye worm) hypothetical protein 0.0032 0.0577 0.0571
Brugia malayi hypothetical protein 0.0032 0.0577 0.0577
Brugia malayi ecdysone receptor 0.0028 0.0435 0.0435
Schistosoma mansoni RAR-like nuclear receptor 0.006 0.1766 0.3581
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.006 0.1766 0.2017
Echinococcus multilocularis ecdysone induced protein 78C 0.006 0.1766 0.2017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.1766 0.2017
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0577 0.0577
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.006 0.1766 0.2017
Brugia malayi Nuclear hormone receptor family member nhr-49 0.006 0.1766 0.1766
Onchocerca volvulus 0.0033 0.0638 0.0212
Echinococcus multilocularis tumor protein p63 0.0227 0.8753 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Echinococcus granulosus nuclear factor of activated T cells 5 0.0092 0.3106 0.3549
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.006 0.1766 0.1761
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.0577 0.066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.006 0.1766 0.1761
Loa Loa (eye worm) nuclear hormone receptor 0.0028 0.0435 0.0429
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0126 0.4539 0.5186
Onchocerca volvulus Bile acid receptor homolog 0.006 0.1766 0.1391
Schistosoma mansoni hypothetical protein 0.0031 0.0547 0.1109
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-41 0.006 0.1766 0.1766
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0028 0.0435 0.0429
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Entamoeba histolytica hypothetical protein 0.0041 0.098 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0038 0.0849 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.006 0.1766 0.1766
Echinococcus granulosus geminin 0.0102 0.3506 0.4006
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Echinococcus granulosus thyroid hormone receptor alpha 0.0028 0.0435 0.0497
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.006 0.1766 0.2017
Brugia malayi Cytochrome P450 family protein 0.0021 0.0125 0.0125
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.006 0.1766 0.2017
Schistosoma mansoni nuclear hormone receptor 0.006 0.1766 0.3581
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.006 0.1766 0.1391
Brugia malayi follicle stimulating hormone receptor 0.0164 0.6127 0.6127
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.006 0.1766 0.2017
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0006 0.0013
Brugia malayi tailless protein 0.0028 0.0435 0.0435
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0125 0.0119
Schistosoma mansoni hypothetical protein 0.0102 0.3506 0.7111
Brugia malayi nuclear hormone receptor 0.0028 0.0435 0.0435
Schistosoma mansoni Tr4/Tr2 (homologue) 0.006 0.1766 0.3581
Schistosoma mansoni retinoic acid receptor RXR 0.0126 0.4539 0.9207
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0038 0.0849 0.0843
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-3 0.006 0.1766 0.1766
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.0435 0.0497
Echinococcus granulosus ecdysone induced protein 78C 0.006 0.1766 0.2017
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.006 0.1766 0.3581
Echinococcus granulosus Ankyrin 0.0018 0.0006 0.0007
Brugia malayi nuclear hormone receptor family member nhr-6 0.0028 0.0435 0.0435
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0435 0.0497
Echinococcus multilocularis Ankyrin 0.0018 0.0006 0.0007
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Schistosoma mansoni hypothetical protein 0.0041 0.098 0.1987
Entamoeba histolytica hypothetical protein 0.0041 0.098 1
Schistosoma mansoni cellular tumor antigen P53 0.0033 0.0638 0.1294
Schistosoma mansoni hypothetical protein 0.0076 0.2411 0.4891
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Echinococcus granulosus nuclear receptor nhr 48 0.0028 0.0435 0.0497
Schistosoma mansoni zinc finger protein 0.0028 0.0435 0.0882
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.006 0.1766 0.2017
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Loa Loa (eye worm) hypothetical protein 0.0032 0.0577 0.0571
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0038 0.0849 0.097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.006 0.1766 0.1761
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0092 0.3106 0.3549
Brugia malayi nuclear receptor RXR 0.0032 0.0577 0.0577
Loa Loa (eye worm) hypothetical protein 0.0032 0.0577 0.0571
Loa Loa (eye worm) hypothetical protein 0.0257 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0577 0.0571
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0435 0.0497
Echinococcus multilocularis Protein lozenge 0.0032 0.0595 0.068
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0038 0.0849 0.097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.006 0.1766 0.1761
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0125 0.0119
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.1766 0.3581
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0028 0.0435 0.0882
Loa Loa (eye worm) hypothetical protein 0.0032 0.0577 0.0571
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0125 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0038 0.0849 0.1722
Schistosoma mansoni nuclear receptor 0.0028 0.0435 0.0882
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.1766 0.1766
Brugia malayi Nuclear hormone receptor family member nhr-40 0.006 0.1766 0.1766
Echinococcus multilocularis FTZ F1 alpha 0.006 0.1766 0.2017
Onchocerca volvulus Protein ultraspiracle homolog 0.006 0.1766 0.1391
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.1766 0.2017
Brugia malayi hypothetical protein 0.0028 0.0435 0.0435
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0028 0.0435 0.0497
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0435 0.0435
Loa Loa (eye worm) nuclear receptor NHR-67 0.0028 0.0435 0.0429
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.0577 0.066
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.0435 0.0497
Loa Loa (eye worm) hypothetical protein 0.0033 0.0638 0.0632
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.006 0.1766 0.2017
Loa Loa (eye worm) runx1 0.0032 0.0595 0.0589
Brugia malayi orphan nuclear receptor NR2E1 0.0028 0.0435 0.0435
Loa Loa (eye worm) steroid hormone receptor 0.006 0.1766 0.1761
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.006 0.1766 0.3581
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.0435 0.0497
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.1766 0.1766
Schistosoma mansoni thyroid hormone receptor 0.0136 0.4931 1
Echinococcus multilocularis transcription factor Dp 1 0.0022 0.0174 0.0199
Onchocerca volvulus 0.006 0.1766 0.1391
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Brugia malayi Nuclear hormone receptor family member nhr-14 0.006 0.1766 0.1766
Schistosoma mansoni nuclear receptor nhr-48 0.0028 0.0435 0.0882
Echinococcus multilocularis geminin 0.0102 0.3506 0.4006
Echinococcus multilocularis nuclear receptor nhr 48 0.0028 0.0435 0.0497
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0038 0.0849 0.0849
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0076 0.2411 0.2755
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0577 0.0577
Brugia malayi Steroid receptor seven-up type 2 0.006 0.1766 0.1766
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.1766 0.2017
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.1435 0.1429
Brugia malayi nuclear receptor RXR 0.0028 0.0435 0.0435
Onchocerca volvulus 0.0257 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.1766 0.1766
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0076 0.2411 0.2755
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0164 0.6127 0.6124
Brugia malayi ecdysteroid receptor 0.006 0.1766 0.1766
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.1766 0.1766
Brugia malayi hypothetical protein 0.0041 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0095 0.3209 0.3666
Loa Loa (eye worm) DR-78 0.0028 0.0435 0.0429
Loa Loa (eye worm) hypothetical protein 0.0028 0.0435 0.0429
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.098 0.112
Schistosoma mansoni hypothetical protein 0.0102 0.3506 0.7111
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0125 0.0119
Brugia malayi nuclear hormone receptor family member odr-7 0.0028 0.0435 0.0435
Schistosoma mansoni coup transcription factor 0.006 0.1766 0.3581
Brugia malayi nuclear hormone receptor 0.006 0.1766 0.1766
Brugia malayi conserved hypotetical protein 0.0028 0.0435 0.0435
Brugia malayi steroid hormone receptor 0.006 0.1766 0.1766
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0028 0.0435 0.0882
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.1766 0.1766
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0028 0.0435 0.0497
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.0577 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-1 0.006 0.1766 0.1766
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0038 0.0849 1
Brugia malayi nuclear receptor NHR-67 0.0028 0.0435 0.0435
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0435 0.0882
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0038 0.0849 1
Schistosoma mansoni lozenge 0.0032 0.0595 0.1208
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0435 0.0882
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.1766 0.1766
Schistosoma mansoni nuclear receptor 0.0028 0.0435 0.0882
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.006 0.1766 0.3581
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0038 0.0849 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.1766 0.1766
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0435 0.0435
Schistosoma mansoni steroid hormone receptor ad4bp 0.006 0.1766 0.3581
Entamoeba histolytica hypothetical protein 0.0041 0.098 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.006 0.1766 0.2017
Brugia malayi hypothetical protein 0.0032 0.0577 0.0577
Brugia malayi hypothetical protein 0.0028 0.0435 0.0435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.006 0.1766 0.1761
Brugia malayi Cytochrome P450 family protein 0.0052 0.1435 0.1435
Schistosoma mansoni thyroid hormone receptor 0.0136 0.4931 1
Echinococcus granulosus tumor protein p63 0.0227 0.8753 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.006 0.1766 0.1761
Echinococcus granulosus FTZ F1 alpha 0.006 0.1766 0.2017
Brugia malayi nuclear receptor NHR-88 0.006 0.1766 0.1766
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.098 0.1987
Brugia malayi photoreceptor-specific nuclear receptor 0.006 0.1766 0.1766
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.1766 0.2017
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.098 0.112
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Loa Loa (eye worm) hypothetical protein 0.006 0.1766 0.1761
Brugia malayi nuclear receptor NHR-88 0.0028 0.0435 0.0435
Brugia malayi Cytochrome P450 family protein 0.0021 0.0125 0.0125
Echinococcus granulosus transcription factor Dp 1 0.0022 0.0174 0.0199
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.006 0.1766 0.3581
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0577 0.1171
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.0435 0.0497
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0028 0.0435 0.0435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.006 0.1766 0.1761
Entamoeba histolytica hypothetical protein 0.0041 0.098 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.4931 0.5633

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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