Detailed information for compound 626997

Basic information

Technical information
  • TDR Targets ID: 626997
  • Name: N-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-5, 6-dihydro-4H-cyclopenta[d]thiophene-3-carboxa mide
  • MW: 432.533 | Formula: C22H28N2O5S
  • H donors: 2 H acceptors: 2 LogP: 4.3 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1sc2c(c1C(=O)NC)CCC2
  • InChi: 1S/C22H28N2O5S/c1-5-27-15-11-13(12-16(28-6-2)19(15)29-7-3)20(25)24-22-18(21(26)23-4)14-9-8-10-17(14)30-22/h11-12H,5-10H2,1-4H3,(H,23,26)(H,24,25)
  • InChiKey: PAEJWYRYMXYOSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methyl-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide
  • N-methyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide

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
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.2028 0.2028
Brugia malayi RNA recognition motif domain containing protein 0.0198 0.5232 0.8326
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5232 0.5216
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0576 0.0543
Echinococcus multilocularis tar DNA binding protein 0.0198 0.5232 0.5216
Schistosoma mansoni hypothetical protein 0.0047 0.055 0.0516
Echinococcus granulosus tar DNA binding protein 0.0198 0.5232 0.5232
Onchocerca volvulus 0.0244 0.6645 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0576 0.0543
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0576 0.0576
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0576 0.0543
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0939 0.1449
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0171 0.0171
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0035 0.5
Brugia malayi RNA binding protein 0.0198 0.5232 0.8326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0576 0.0543
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0198 0.5232 0.8326
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0171 0.0136
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5232 0.5216
Schistosoma mansoni survival motor neuron protein 0.0047 0.055 0.0516
Onchocerca volvulus 0.0047 0.055 0.0778
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5232 0.5216
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0035 0.0035
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.6277 0.6264
Echinococcus multilocularis geminin 0.0352 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0576 0.0866
Schistosoma mansoni hypothetical protein 0.0352 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0232 0.6277 1
Brugia malayi TAR-binding protein 0.0198 0.5232 0.8326
Brugia malayi Pre-SET motif family protein 0.0214 0.5727 0.9119
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.2028 0.2
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.055 0.0824
Schistosoma mansoni jumonji domain containing protein 0.0076 0.1423 0.1393
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5232 0.5216
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0334 0.03
Brugia malayi jmjC domain containing protein 0.0095 0.2028 0.3193
Trichomonas vaginalis set domain proteins, putative 0.0244 0.6645 0.5
Echinococcus granulosus jumonji domain containing protein 0.004 0.0334 0.0334
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0171 0.0136
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.5727 0.9119
Brugia malayi hypothetical protein 0.0232 0.6277 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0035 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0171 0.0136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0576 0.0543
Schistosoma mansoni hypothetical protein 0.0352 1 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5232 0.5216
Loa Loa (eye worm) RNA binding protein 0.0198 0.5232 0.8326
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0171 0.0217
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.6277 0.6277
Brugia malayi jmjC domain containing protein 0.0035 0.0171 0.0217
Loa Loa (eye worm) hypothetical protein 0.005 0.0624 0.0944
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0576 0.0866
Loa Loa (eye worm) TAR-binding protein 0.0198 0.5232 0.8326

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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