Detailed information for compound 889391

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.418 | Formula: C17H20N2O2S
  • H donors: 1 H acceptors: 3 LogP: 3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1CCCCN1C(=O)c1csc(n1)c1cccc(c1)C
  • InChi: 1S/C17H20N2O2S/c1-12-5-4-6-13(9-12)16-18-15(11-22-16)17(21)19-8-3-2-7-14(19)10-20/h4-6,9,11,14,20H,2-3,7-8,10H2,1H3
  • InChiKey: VRDGNKKXVJEEDB-UHFFFAOYSA-N  

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
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.145 0.9027 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0115 0.0584 1
Brugia malayi nuclear hormone receptor 0.0115 0.0584 0.0646
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0054 0.0201 0.0201
Entamoeba histolytica hypothetical protein 0.0041 0.0121 0.0134
Schistosoma mansoni flap endonuclease-1 0.0027 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0115 0.0584 0.0646
Echinococcus granulosus flap endonuclease 1 0.003 0.0049 0.0049
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0115 0.0584 0.0646
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0054 0.0201 0.0223
Echinococcus multilocularis transcription factor Dp 1 0.084 0.5166 0.5372
Schistosoma mansoni hypothetical protein 0.0041 0.0121 0.0121
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0061 0.0242 0.0242
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0054 0.0201 0.0201
Leishmania major DNA polymerase eta, putative 0.0036 0.0089 0.0098
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0115 0.0584 0.0607
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0115 0.0584 0.0646
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.145 0.9027 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0115 0.0584 0.0646
Echinococcus granulosus thyroid hormone receptor alpha 0.0054 0.0201 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0115 0.0584 0.0646
Entamoeba histolytica Flap nuclease, putative 0.003 0.0049 0.0054
Schistosoma mansoni nuclear hormone receptor 0.0115 0.0584 0.0584
Echinococcus granulosus nuclear receptor nhr 48 0.0054 0.0201 0.0201
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0201 0.0201
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0121 0.0121
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0121 0.0121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0192 0.0192
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0321 0.0321
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0321 0.0355
Loa Loa (eye worm) hypothetical protein 0.0061 0.0242 0.0268
Brugia malayi Steroid receptor seven-up type 2 0.0115 0.0584 0.0646
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0201 0.0209
Schistosoma mansoni nuclear receptor 0.0054 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0054 0.0201 0.0209
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0115 0.0584 0.0646
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0115 0.0584 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0115 0.0584 0.0646
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0115 0.0584 0.0607
Brugia malayi steroid hormone receptor 0.0115 0.0584 0.0646
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.145 0.9027 0.9386
Echinococcus multilocularis geminin 0.0195 0.1093 0.1136
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0115 0.0584 0.0584
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.145 0.9027 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0049 0.0054
Schistosoma mansoni steroid hormone receptor ad4bp 0.0115 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Brugia malayi Nuclear hormone receptor E75 0.0054 0.0201 0.0223
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0 0.5
Brugia malayi nuclear receptor RXR 0.0061 0.0242 0.0268
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0049 0.1335
Brugia malayi nuclear receptor NHR-88 0.0054 0.0201 0.0223
Schistosoma mansoni DNA polymerase eta 0.0052 0.0185 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.0584 0.0646
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0192 0.02
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0115 0.0584 0.0607
Echinococcus multilocularis nuclear receptor nhr 48 0.0054 0.0201 0.0209
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0192 0.02
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.145 0.9027 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0321 0.0355
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.0242 0.0268
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0201 0.0201
Trypanosoma cruzi DNA polymerase eta, putative 0.0052 0.0185 0.0205
Schistosoma mansoni hypothetical protein 0.0195 0.1093 0.1093
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0192 0.0213
Loa Loa (eye worm) hypothetical protein 0.0052 0.0185 0.0205
Entamoeba histolytica hypothetical protein 0.0041 0.0121 0.0134
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0115 0.0584 0.0584
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0192 0.0192
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0061 0.0242 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0321 0.0321
Trypanosoma brucei DNA polymerase eta, putative 0.0052 0.0185 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0115 0.0584 0.0646
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0121 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0115 0.0584 0.0646
Brugia malayi TAR-binding protein 0.0073 0.0321 0.0355
Plasmodium falciparum flap endonuclease 1 0.003 0.0049 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0115 0.0584 0.0607
Brugia malayi ecdysteroid receptor 0.0115 0.0584 0.0646
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0115 0.0584 0.0584
Loa Loa (eye worm) DR-78 0.0054 0.0201 0.0223
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0089 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0192 0.0192
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0061 0.0242 0.0242
Schistosoma mansoni nuclear receptor 0.0054 0.0201 0.0201
Brugia malayi hypothetical protein 0.0061 0.0242 0.0268
Brugia malayi hypothetical protein 0.0029 0.0043 0.0048
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0089 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0061 0.0242 0.0242
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0115 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Echinococcus granulosus Nuclear hormone receptor HR96 0.0054 0.0201 0.0201
Brugia malayi ImpB/MucB/SamB family protein 0.0052 0.0185 0.0205
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Schistosoma mansoni thyroid hormone receptor 0.0115 0.0584 0.0584
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0115 0.0584 0.0584
Schistosoma mansoni retinoic acid receptor RXR 0.1604 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0049 1
Loa Loa (eye worm) nuclear hormone receptor 0.0054 0.0201 0.0223
Schistosoma mansoni zinc finger protein 0.0054 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0061 0.0242 0.0268
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.0242 0.0268
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0115 0.0584 0.0584
Brugia malayi hypothetical protein 0.0041 0.0121 0.0134
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0054 0.0201 0.0209
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0115 0.0584 0.0646
Brugia malayi RNA binding protein 0.0073 0.0321 0.0355
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0049 0.0054
Schistosoma mansoni nuclear receptor nhr-48 0.0054 0.0201 0.0201
Echinococcus granulosus Nuclear hormone receptor HR96 0.0054 0.0201 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0115 0.0584 0.0646
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1544 0.9618 1
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0049 1
Schistosoma mansoni RAR-like nuclear receptor 0.0115 0.0584 0.0584
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.145 0.9027 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0115 0.0584 0.0646
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0321 0.0333
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0115 0.0584 0.0646
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0043 0.0048
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0201 0.0201
Echinococcus granulosus geminin 0.0195 0.1093 0.1093
Schistosoma mansoni hypothetical protein 0.0195 0.1093 0.1093
Echinococcus granulosus dna polymerase eta 0.0052 0.0185 0.0185
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0115 0.0584 0.0584
Brugia malayi conserved hypotetical protein 0.0054 0.0201 0.0223
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0115 0.0584 0.0607
Entamoeba histolytica hypothetical protein 0.0041 0.0121 0.0134
Brugia malayi nuclear hormone receptor 0.0054 0.0201 0.0223
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0049 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0043 0.0048
Echinococcus granulosus FTZ F1 alpha 0.0115 0.0584 0.0584
Loa Loa (eye worm) nuclear receptor NHR-67 0.0054 0.0201 0.0223
Brugia malayi Flap endonuclease-1 0.003 0.0049 0.0054
Brugia malayi hypothetical protein 0.0054 0.0201 0.0223
Mycobacterium ulcerans DNA polymerase IV 0.0022 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0115 0.0584 0.0584
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0115 0.0584 0.0646
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0115 0.0584 0.0584
Brugia malayi hypothetical protein 0.0054 0.0201 0.0223
Leishmania major DNA polymerase eta, putative 0.0052 0.0185 0.0205
Brugia malayi photoreceptor-specific nuclear receptor 0.0115 0.0584 0.0646
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.145 0.9027 1
Echinococcus granulosus ecdysone induced protein 78C 0.0115 0.0584 0.0584
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0115 0.0584 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0115 0.0584 0.0646
Leishmania major hypothetical protein, conserved 0.0029 0.0043 0.0048
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0049 0.0054
Echinococcus granulosus transcription factor Dp 1 0.084 0.5166 0.5166
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0054 0.0201 0.0223
Brugia malayi Nuclear hormone receptor E75 0.0054 0.0201 0.0223
Onchocerca volvulus Bile acid receptor homolog 0.0115 0.0584 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Onchocerca volvulus 0.0115 0.0584 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0242 0.0268
Loa Loa (eye worm) hypothetical protein 0.0029 0.0043 0.0048
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.145 0.9027 0.9027
Loa Loa (eye worm) steroid hormone receptor 0.0115 0.0584 0.0646
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.145 0.9027 0.9027
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0321 0.0321
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0321 0.0321
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0115 0.0584 0.0584
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0115 0.0584 0.0646
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0321 0.0355
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Echinococcus multilocularis FTZ F1 alpha 0.0115 0.0584 0.0607
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0115 0.0584 0.0646
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.0584 0.0646
Brugia malayi ecdysone receptor 0.0054 0.0201 0.0223
Entamoeba histolytica hypothetical protein 0.0041 0.0121 0.0134
Echinococcus multilocularis dna polymerase eta 0.0052 0.0185 0.0193
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0049 0.0054
Schistosoma mansoni thyroid hormone receptor 0.0115 0.0584 0.0584
Loa Loa (eye worm) RNA binding protein 0.0073 0.0321 0.0355
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.145 0.9027 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0054 0.0201 0.0209
Brugia malayi nuclear hormone receptor family member nhr-6 0.0054 0.0201 0.0223
Brugia malayi tailless protein 0.0054 0.0201 0.0223
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0115 0.0584 0.0646
Echinococcus multilocularis thyroid hormone receptor alpha 0.0115 0.0584 0.0607
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0192 0.0192
Brugia malayi nuclear hormone receptor family member odr-7 0.0054 0.0201 0.0223
Loa Loa (eye worm) hypothetical protein 0.0061 0.0242 0.0268
Brugia malayi orphan nuclear receptor NR2E1 0.0054 0.0201 0.0223
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0054 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0115 0.0584 0.0646
Mycobacterium ulcerans DNA polymerase IV 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0242 0.0268
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0192 0.0213
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0043 0.0048
Brugia malayi hypothetical protein 0.0061 0.0242 0.0268
Echinococcus multilocularis flap endonuclease 1 0.003 0.0049 0.0051
Schistosoma mansoni coup transcription factor 0.0115 0.0584 0.0584
Brugia malayi Nuclear hormone receptor-like 1 0.0115 0.0584 0.0646
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0192 0.0192
Brugia malayi nuclear receptor RXR 0.0054 0.0201 0.0223
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0115 0.0584 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0061 0.0242 0.0252
Echinococcus granulosus tar DNA binding protein 0.0073 0.0321 0.0321
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0115 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0054 0.0201 0.0223
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0115 0.0584 0.0584
Brugia malayi nuclear receptor NHR-67 0.0054 0.0201 0.0223
Brugia malayi nuclear receptor NHR-88 0.0115 0.0584 0.0646

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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