Detailed information for compound 766477

Basic information

Technical information
  • TDR Targets ID: 766477
  • Name: ethyl 4-(6-amino-3,5-dicyano-4-thiophen-2-ylp yridin-2-yl)sulfanyl-3-oxobutanoate
  • MW: 386.448 | Formula: C17H14N4O3S2
  • H donors: 1 H acceptors: 5 LogP: 2.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC(=O)CSc1nc(N)c(c(c1C#N)c1cccs1)C#N
  • InChi: 1S/C17H14N4O3S2/c1-2-24-14(23)6-10(22)9-26-17-12(8-19)15(13-4-3-5-25-13)11(7-18)16(20)21-17/h3-5H,2,6,9H2,1H3,(H2,20,21)
  • InChiKey: GRKDVQBGFUSKRG-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 4-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate
  • 4-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-3-oxobutanoic acid ethyl ester
  • 4-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester
  • ethyl 4-(6-amino-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxo-butanoate
  • ChemDiv1_017737
  • 4-(6-Amino-3,5-dicyano-4-thiophen-2-yl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid
  • BAS 01107822
  • A0440/0020351
  • AG-205/11317121

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 brucei sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2708
Echinococcus multilocularis geminin 0.0166 0.1042 0.1537
Leishmania major sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2943
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.1198 0.2667
Leishmania major C-14 sterol reductase, putative 0.0094 0.0378 0.0322
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0058 0.5
Trypanosoma brucei Emopamil binding protein, putative 0.0283 0.2125 0.1815
Echinococcus granulosus tm gpcr rhodopsin 0.054 0.4494 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2708
Leishmania major lanosterol synthase, putative 0.0323 0.2489 0.2445
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0058 0.5
Loa Loa (eye worm) hypothetical protein 0.0582 0.4873 0.4873
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0212 0.1463 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.1205 0.1205
Trypanosoma cruzi Emopamil binding protein, putative 0.0283 0.2125 0.1815
Leishmania major C-8 sterol isomerase-like protein 0.1138 1 1
Echinococcus granulosus lamin b receptor 0.0094 0.0378 0.0841
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1138 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0058 0.0272
Trypanosoma brucei C-8 sterol isomerase, putative 0.1138 1 1
Schistosoma mansoni hypothetical protein 0.0166 0.1042 0.4933
Leishmania major hypothetical protein, conserved 0.0283 0.2125 0.2079
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0184 0.1205 0.1205
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.054 0.4494 0.6625
Schistosoma mansoni Lamin B receptor (ERG24) 0.0094 0.0378 0.1789
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0058 0.0085
Trypanosoma cruzi Emopamil binding protein, putative 0.0283 0.2125 0.1815
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0283 0.2125 0.2079
Echinococcus multilocularis lamin b receptor 0.0094 0.0378 0.0557
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0058 0.0128
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2708
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.6784 1
Leishmania major sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2943
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0283 0.2125 0.1815
Loa Loa (eye worm) hypothetical protein 0.1138 1 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2708
Schistosoma mansoni hypothetical protein 0.0166 0.1042 0.4933
Trypanosoma cruzi lanosterol synthase, putative 0.0344 0.268 0.2392
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0377 0.2984 0.2708
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0058 0.0272
Echinococcus granulosus geminin 0.0166 0.1042 0.2319
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.1198 0.1767
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0058 0.5
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0196 0.1323 0.0982
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0058 0.5
Schistosoma mansoni hypothetical protein 0.0282 0.2113 1
Trypanosoma brucei Sterol methyltransferase, putative 0.0377 0.2984 0.2708
Onchocerca volvulus 0.0283 0.2125 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0344 0.268 0.2392
Trypanosoma brucei lanosterol synthase 0.0344 0.268 0.2392
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0283 0.2125 0.1815

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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