Detailed information for compound 61139

Basic information

Technical information
  • TDR Targets ID: 61139
  • Name: (1S,2R)-2-[2-(3,5-dioxomorpholin-4-yl)ethyl]- N-methyl-1-pyridin-3-ylcyclohexane-1-carbothi oamide
  • MW: 375.485 | Formula: C19H25N3O3S
  • H donors: 0 H acceptors: 3 LogP: 2.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/N=C(\[C@]1(CCCC[C@@H]1CCN1C(=O)COCC1=O)c1cccnc1)/S
  • InChi: 1S/C19H25N3O3S/c1-20-18(26)19(15-6-4-9-21-11-15)8-3-2-5-14(19)7-10-22-16(23)12-25-13-17(22)24/h4,6,9,11,14H,2-3,5,7-8,10,12-13H2,1H3,(H,20,26)/t14-,19+/m1/s1
  • InChiKey: OQKGDKBUMGZDKO-KUHUBIRLSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,2R)-2-[2-(3,5-dioxomorpholin-4-yl)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide
  • (1S,2R)-2-[2-(3,5-dioxo-4-morpholinyl)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide
  • (1S,2R)-2-[2-(3,5-dioxomorpholin-4-yl)ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide
  • (1S,2R)-2-[2-(3,5-diketomorpholino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide
  • (1S,2R)-2-[2-(3,5-dioxomorpholin-4-yl)ethyl]-N-methyl-1-(3-pyridyl)cyclohexane-1-carbothioamide
  • (1S,2R)-2-[2-(3,5-dioxo-4-morpholinyl)ethyl]-N-methyl-1-(3-pyridyl)-1-cyclohexanecarbothioamide
  • (1S,2R)-2-[2-(3,5-diketomorpholin-4-yl)ethyl]-N-methyl-1-(3-pyridyl)cyclohexane-1-carbothioamide

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 Nuclear hormone receptor family member nhr-49 0.0078 0.0544 0.1133
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0532 0.48 0.48
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.0159 0.0159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0251 0.0251
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0078 0.0544 0.1133
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0116 0.0241
Schistosoma mansoni RAR-like nuclear receptor 0.0078 0.0544 0.0544
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0064 0.0067
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0159 0.0159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0544 0.0544
Schistosoma mansoni flap endonuclease-1 0.0024 0.004 0.004
Schistosoma mansoni coup transcription factor 0.0078 0.0544 0.0544
Echinococcus granulosus FTZ F1 alpha 0.0078 0.0544 0.0544
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0064 0.0134
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0532 0.48 1
Brugia malayi nuclear receptor NHR-88 0.0078 0.0544 0.1133
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0544 0.0565
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0159 0.0159
Brugia malayi hypothetical protein 0.0037 0.0159 0.0332
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Echinococcus multilocularis transcription factor Dp 1 0.0308 0.2701 0.2809
Brugia malayi nuclear receptor NHR-88 0.0037 0.0159 0.0332
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0419 0.0873
Leishmania major DNA polymerase eta, putative 0.0045 0.0242 0.0505
Brugia malayi RNA binding protein 0.0064 0.0419 0.0873
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0159 0.0159
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.0159 0.0159
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0078 0.0544 0.1133
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0251 0.0261
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0 0.5
Leishmania major hypothetical protein, conserved 0.0026 0.0056 0.0117
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0532 0.48 1
Echinococcus multilocularis geminin 0.0172 0.1428 0.1485
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Brugia malayi hypothetical protein 0.0026 0.0056 0.0117
Schistosoma mansoni nuclear receptor 0.0037 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0418
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0532 0.48 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0418
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0159 0.0166
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0418
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0041 0.0201 0.0418
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0078 0.0544 0.0565
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0078 0.0544 0.0565
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0078 0.0544 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0078 0.0544 0.1133
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0544 0.1133
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0041 0.0201 0.0209
Schistosoma mansoni hypothetical protein 0.0172 0.1428 0.1428
Brugia malayi nuclear receptor NHR-67 0.0037 0.0159 0.0332
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0159 0.0159
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.0159 0.0332
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0078 0.0544 0.1133
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0159 0.0159
Brugia malayi ecdysteroid receptor 0.0078 0.0544 0.1133
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0532 0.48 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.0159 0.0332
Brugia malayi hypothetical protein 0.0041 0.0201 0.0418
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.0544 0.0565
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.0159 0.0159
Brugia malayi ecdysone receptor 0.0037 0.0159 0.0332
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0251 0.0524
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Echinococcus granulosus ecdysone induced protein 78C 0.0078 0.0544 0.0544
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.0159 0.0332
Schistosoma mansoni nuclear hormone receptor 0.0078 0.0544 0.0544
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0419 0.0873
Entamoeba histolytica hypothetical protein 0.0037 0.0159 0.033
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0078 0.0544 0.1133
Loa Loa (eye worm) RNA binding protein 0.0064 0.0419 0.0873
Schistosoma mansoni steroid hormone receptor ad4bp 0.0078 0.0544 0.0544
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0159 0.0332
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0242 0.0505
Brugia malayi conserved hypotetical protein 0.0037 0.0159 0.0332
Echinococcus multilocularis dna polymerase eta 0.0045 0.0242 0.0252
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0159 0.0166
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0116 1
Echinococcus granulosus dna polymerase eta 0.0045 0.0242 0.0242
Brugia malayi nuclear hormone receptor 0.0078 0.0544 0.1133
Echinococcus multilocularis thyroid hormone receptor alpha 0.0078 0.0544 0.0565
Brugia malayi Flap endonuclease-1 0.0026 0.0064 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0544 0.1133
Loa Loa (eye worm) DR-78 0.0037 0.0159 0.0332
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.0159 0.0332
Leishmania major DNA polymerase eta, putative 0.0032 0.0116 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0078 0.0544 0.1133
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.0544 0.1133
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0041 0.0201 0.0201
Schistosoma mansoni nuclear receptor 0.0037 0.0159 0.0159
Entamoeba histolytica hypothetical protein 0.0037 0.0159 0.033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0078 0.0544 0.1133
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0041 0.0201 0.0201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0251 0.0251
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0064 1
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0242 0.0505
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0159 0.0165
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0418
Brugia malayi hypothetical protein 0.0041 0.0201 0.0418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.0159 0.0159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0544 0.0544
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0078 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0045 0.0242 0.0505
Schistosoma mansoni retinoic acid receptor RXR 0.1087 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0056 0.0117
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0201 0.0201
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0078 0.0544 0.1133
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0532 0.48 0.4991
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0078 0.0544 0.0544
Schistosoma mansoni hypothetical protein 0.0037 0.0159 0.0159
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0419 0.0436
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0544 0.0544
Echinococcus granulosus flap endonuclease 1 0.0026 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.0117
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1046 0.9616 1
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.0159 0.0332
Echinococcus granulosus geminin 0.0172 0.1428 0.1428
Entamoeba histolytica hypothetical protein 0.0037 0.0159 0.033
Brugia malayi TAR-binding protein 0.0064 0.0419 0.0873
Schistosoma mansoni zinc finger protein 0.0037 0.0159 0.0159
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0064 0.0134
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Onchocerca volvulus Bile acid receptor homolog 0.0078 0.0544 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0078 0.0544 0.0565
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Onchocerca volvulus Protein ultraspiracle homolog 0.0078 0.0544 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.0419 0.0419
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0064 0.1335
Brugia malayi hypothetical protein 0.0037 0.0159 0.033
Schistosoma mansoni hypothetical protein 0.0172 0.1428 0.1428
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0078 0.0544 0.0544
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0078 0.0544 0.0544
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.0159 0.0332
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0064 1
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0064 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0078 0.0544 0.1133
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0242 0.0505
Brugia malayi hypothetical protein 0.0037 0.0159 0.0332
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0078 0.0544 0.0544
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0159 0.0159
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0056 0.0117
Echinococcus granulosus transcription factor Dp 1 0.0308 0.2701 0.2701
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.0159 0.0166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0251 0.0251
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0544 0.0544
Brugia malayi steroid hormone receptor 0.0078 0.0544 0.1133
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0418
Echinococcus multilocularis ecdysone induced protein 78C 0.0078 0.0544 0.0565
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0532 0.48 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0544 0.1133
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0064 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0078 0.0544 0.1133
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0544 0.1133
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0078 0.0544 0.1133
Echinococcus multilocularis FTZ F1 alpha 0.0078 0.0544 0.0565
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Loa Loa (eye worm) steroid hormone receptor 0.0078 0.0544 0.1133
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0544 0.0565
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0419 0.0873
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0544 0.1133
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.0544 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Plasmodium falciparum flap endonuclease 1 0.0026 0.0064 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0532 0.48 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0532 0.48 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0078 0.0544 0.0544
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0064 0.0134
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0159 0.0332
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.0159 0.0332
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0201 0.0418
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.0544 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0532 0.48 0.48
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0159 0.0166
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.0159 0.0159
Entamoeba histolytica hypothetical protein 0.0037 0.0159 0.033
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0078 0.0544 0.1133
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0251 0.0261
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.0159 0.0166
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0064 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0251 0.0524
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0201 0.0418
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.0159 0.0159
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0078 0.0544 0.1133
Brugia malayi nuclear receptor RXR 0.0037 0.0159 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0544 0.1133
Schistosoma mansoni DNA polymerase eta 0.0045 0.0242 0.0242
Brugia malayi tailless protein 0.0037 0.0159 0.0332
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0078 0.0544 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0544 0.1133
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0078 0.0544 0.1133
Brugia malayi nuclear receptor RXR 0.0041 0.0201 0.0418
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0078 0.0544 0.0544
Brugia malayi nuclear hormone receptor 0.0037 0.0159 0.0332
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0056 0.0117
Loa Loa (eye worm) hypothetical protein 0.0078 0.0544 0.1133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0251 0.0251
Onchocerca volvulus 0.0078 0.0544 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0332

Activities

Activity type Activity value Assay description Source Reference
IC90 (functional) = 0.1 uM In vitro relaxation of de-endothelialized rat aortic strips toned with 20 mM KCl ChEMBL. 8496928

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

1 literature reference was collected for this gene.

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