Detailed information for compound 617570

Basic information

Technical information
  • TDR Targets ID: 617570
  • Name: O6-ethyl O3-methyl 2-[(2,6-difluorobenzoyl)am ino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3,6 -dicarboxylate
  • MW: 424.418 | Formula: C19H18F2N2O5S
  • H donors: 1 H acceptors: 3 LogP: 3.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1c(F)cccc1F
  • InChi: 1S/C19H18F2N2O5S/c1-3-28-19(26)23-8-7-10-13(9-23)29-17(14(10)18(25)27-2)22-16(24)15-11(20)5-4-6-12(15)21/h4-6H,3,7-9H2,1-2H3,(H,22,24)
  • InChiKey: GVKDBIBWRBIXNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(2,6-difluorophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3,6-dicarboxylic acid O6-ethyl O3-methyl ester
  • 2-[(2,6-difluorobenzoyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3,6-dicarboxylic acid O6-ethyl O3-methyl ester
  • O6-ethyl O3-methyl 2-[(2,6-difluorophenyl)carbonylamino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3,6-dicarboxylate

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 chromobox protein, putative 0.0077 0.0473 1
Schistosoma mansoni jumonji domain containing protein 0.0163 0.1499 0.5505
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0205 0.2004 0.7035
Brugia malayi chromobox protein homolog 3 0.0043 0.0066 0.0243
Brugia malayi Bromodomain containing protein 0.0062 0.0297 0.1091
Schistosoma mansoni hypothetical protein 0.0062 0.0297 0.1091
Loa Loa (eye worm) TAR-binding protein 0.0265 0.2724 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0297 0.1091
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0297 0.5
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2724 1
Onchocerca volvulus Alhambra homolog 0.0062 0.0297 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0205 0.2004 0.1759
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0265 0.2724 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.131 0.4175
Brugia malayi RNA recognition motif domain containing protein 0.0265 0.2724 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0833 0.306
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0147 0.131 0.481
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0147 0.131 0.481
Giardia lamblia PHD finger protein 15 0.0062 0.0297 0.5
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2724 1
Loa Loa (eye worm) RNA binding protein 0.0265 0.2724 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.021 0.077
Schistosoma mansoni chromobox protein 0.0077 0.0473 0.1737
Loa Loa (eye worm) PHD-finger family protein 0.0062 0.0297 0.1091
Echinococcus multilocularis tar DNA binding protein 0.0265 0.2724 0.2501
Brugia malayi jmjC domain containing protein 0.0205 0.2004 0.7359
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.131 0.1044
Echinococcus multilocularis lysine specific demethylase 5A 0.0076 0.0455 0.0163
Echinococcus multilocularis jumonji domain containing protein 0.0087 0.0591 0.0303
Echinococcus granulosus lysine specific demethylase 5A 0.0076 0.0455 0.0651
Loa Loa (eye worm) hypothetical protein 0.0055 0.021 0.077
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.0297 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.021 0.077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.131 0.481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.131 0.481
Loa Loa (eye worm) jmjC domain-containing protein 0.0076 0.0455 0.1671
Brugia malayi Heterochromatin protein 1 0.0077 0.0473 0.1737
Brugia malayi RNA binding protein 0.0265 0.2724 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.131 0.481
Echinococcus granulosus tar DNA binding protein 0.0265 0.2724 1
Echinococcus multilocularis chromobox protein 1 0.0077 0.0473 0.0181
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0106 0.0969
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.021 0.077
Plasmodium falciparum phd finger protein, putative 0.0062 0.0297 0.5
Brugia malayi TAR-binding protein 0.0265 0.2724 1
Echinococcus granulosus jumonji domain containing protein 0.0087 0.0591 0.1211
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2724 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.0455 0.1671
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2724 1
Echinococcus granulosus chromobox protein 1 0.0077 0.0473 0.0725
Loa Loa (eye worm) jmjC domain-containing protein 0.0129 0.1096 0.4025
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0106 0.0969
Brugia malayi jmjC domain containing protein 0.0076 0.0455 0.1671
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.0455 0.1671
Loa Loa (eye worm) hypothetical protein 0.0043 0.0066 0.0243
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.131 0.4175
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.0297 0.5
Echinococcus granulosus chromobox protein 1 0.0077 0.0473 0.0725
Brugia malayi PHD-finger family protein 0.0062 0.0297 0.1091
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2724 1
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0473 0.1737
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0062 0.0297 0.1091
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0473 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0106 0.1706
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.131 0.1044
Echinococcus multilocularis chromobox protein 1 0.0077 0.0473 0.0181
Schistosoma mansoni chromobox protein 0.0077 0.0473 0.1737

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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