Detailed information for compound 1263504

Basic information

Technical information
  • TDR Targets ID: 1263504
  • Name: N-cycloheptyl-2-pyrrolidin-1-yl-2-sulfanylide neacetamide
  • MW: 254.392 | Formula: C13H22N2OS
  • H donors: 1 H acceptors: 1 LogP: 2.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=S)N1CCCC1)NC1CCCCCC1
  • InChi: 1S/C13H22N2OS/c16-12(13(17)15-9-5-6-10-15)14-11-7-3-1-2-4-8-11/h11H,1-10H2,(H,14,16)
  • InChiKey: GYGCOXAKJIEOBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cycloheptyl-2-pyrrolidin-1-yl-2-thioxo-acetamide
  • N-cycloheptyl-2-1-pyrrolidinyl-2-thioxoacetamide
  • N-cycloheptyl-2-pyrrolidin-1-yl-2-sulfanylidene-ethanamide
  • ZINC04832044
  • MLS000664687
  • N-cycloheptyl-2-(1-pyrrolidinyl)-2-thioxoacetamide
  • SMR000296412

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
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0096 0.5
Brugia malayi RNA binding protein 0.0214 0.4992 0.5048
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.2817 0.2779
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.1488 0.1421
Entamoeba histolytica hypothetical protein 0.004 0.0139 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.039 0.9888 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0123 0.2456 0.2484
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.039 0.9888 1
Schistosoma mansoni hypothetical protein 0.004 0.0139 0.0043
Schistosoma mansoni hypothetical protein 0.0394 1 1
Leishmania major hypothetical protein, conserved 0.0055 0.054 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1488 0.1405
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0123 0.2456 0.2383
Loa Loa (eye worm) hypothetical protein 0.039 0.9888 1
Loa Loa (eye worm) RNA binding protein 0.0214 0.4992 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.054 1
Brugia malayi Latrophilin receptor protein 2 0.0123 0.2456 0.2484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1488 0.1405
Schistosoma mansoni tar DNA-binding protein 0.0214 0.4992 0.4943
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.054 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0139 0.0043
Loa Loa (eye worm) latrophilin receptor protein 2 0.0123 0.2456 0.241
Loa Loa (eye worm) hypothetical protein 0.0123 0.2456 0.241
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0096 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1488 0.1405
Echinococcus granulosus muscleblind protein 0.0153 0.3293 0.3228
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0096 0.0097
Entamoeba histolytica hypothetical protein 0.004 0.0139 1
Echinococcus granulosus tar DNA binding protein 0.0214 0.4992 0.4943
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.054 1
Brugia malayi hypothetical protein 0.0055 0.054 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1488 0.1405
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.054 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0096 0.5
Echinococcus multilocularis muscleblind protein 0.0153 0.3293 0.3228
Loa Loa (eye worm) hypothetical protein 0.0153 0.3293 0.3265
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0139 0.0043
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0123 0.2456 0.2383
Echinococcus multilocularis GPCR, family 2 0.0123 0.2456 0.2383
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0096 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0096 0.5
Brugia malayi hypothetical protein 0.004 0.0139 0.014
Brugia malayi Calcitonin receptor-like protein seb-1 0.039 0.9888 1
Schistosoma mansoni tar DNA-binding protein 0.0214 0.4992 0.4943
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0096 0.5
Schistosoma mansoni tar DNA-binding protein 0.0214 0.4992 0.4943
Loa Loa (eye worm) TAR-binding protein 0.0214 0.4992 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0123 0.2456 0.2383
Schistosoma mansoni hypothetical protein 0.0123 0.2456 0.2383
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1488 0.1405
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0214 0.4992 0.5
Brugia malayi MH2 domain containing protein 0.0136 0.2817 0.2849
Loa Loa (eye worm) hypothetical protein 0.0153 0.3293 0.3265
Schistosoma mansoni hypothetical protein 0.0394 1 1
Schistosoma mansoni hypothetical protein 0.0123 0.2456 0.2383
Echinococcus granulosus GPCR family 2 0.0123 0.2456 0.2383
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.054 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0139 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0214 0.4992 0.4943
Schistosoma mansoni hypothetical protein 0.0123 0.2456 0.2383
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0123 0.2456 0.2383
Loa Loa (eye worm) hypothetical protein 0.0055 0.054 0.0454
Brugia malayi RNA recognition motif domain containing protein 0.0214 0.4992 0.5048
Brugia malayi latrophilin 2 splice variant baaae 0.0267 0.6448 0.6521
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.1488 0.1504
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.2817 0.2779
Echinococcus multilocularis tar DNA binding protein 0.0214 0.4992 0.4943
Echinococcus multilocularis muscleblind protein 1 0.0153 0.3293 0.3228
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0096 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.054 1
Entamoeba histolytica hypothetical protein 0.004 0.0139 1
Brugia malayi Muscleblind-like protein 0.0153 0.3293 0.333
Schistosoma mansoni tar DNA-binding protein 0.0214 0.4992 0.4943
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.054 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1488 0.1405
Schistosoma mansoni hypothetical protein 0.0123 0.2456 0.2383
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1488 0.1405
Entamoeba histolytica hypothetical protein 0.004 0.0139 1
Echinococcus multilocularis geminin 0.0394 1 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.6448 0.6487
Schistosoma mansoni hypothetical protein 0.0267 0.6448 0.6414
Brugia malayi TAR-binding protein 0.0214 0.4992 0.5048

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

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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