Detailed information for compound 1472441

Basic information

Technical information
  • TDR Targets ID: 1472441
  • Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-th ieno[5,4-c]pyridin-2-yl]acetamide
  • MW: 311.401 | Formula: C17H17N3OS
  • H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NC(=O)C)sc2c1CCN(C2)Cc1ccccc1
  • InChi: 1S/C17H17N3OS/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13/h2-6H,7-8,10-11H2,1H3,(H,19,21)
  • InChiKey: FFBNEQHODSFPFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[6-(benzyl)-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]acetamide
  • N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]ethanamide
  • Oprea1_705513

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0129 0.0129
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0086 0.0331 0.0331
Schistosoma mansoni polycystin 1-related 0.002 0.0004 0.0004
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0075 0.0279 0.8429
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.0279 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma brucei calcium-activated potassium channel, putative 0.0075 0.0279 1
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0075 0.0279 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.022 0.7871
Brugia malayi hypothetical protein 0.0075 0.0279 0.8429
Trypanosoma cruzi ion transport protein, putative 0.0075 0.0279 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0195 0.0195
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0075 0.0279 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Echinococcus multilocularis twik family of potassium channels 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0004 0.0004
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0004 0.0159
Leishmania major ion transport protein-like protein 0.0075 0.0279 1
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0075 0.0279 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0075 0.0279 0.8429
Schistosoma mansoni calcium-activated potassium channel 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0504 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Mycobacterium ulcerans transmembrane cation transporter 0.0075 0.0279 1
Leishmania major cathepsin L-like protease 0.0063 0.022 0.7871
Schistosoma mansoni rab6-interacting 0.002 0.0004 0.0004
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0004 0.0159
Schistosoma mansoni loxhd1 0.002 0.0004 0.0004
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.022 0.7871
Trypanosoma cruzi ion transport protein, putative 0.0075 0.0279 1
Echinococcus multilocularis RUN 0.002 0.0004 0.0004
Plasmodium falciparum potassium channel 0.0075 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni hypothetical protein 0.002 0.0004 0.0004
Brugia malayi Cytochrome P450 family protein 0.0045 0.0129 0.3898
Echinococcus multilocularis potassium channel subfamily K 0.0075 0.0279 0.0279
Plasmodium falciparum potassium channel 0.0075 0.0279 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.0279 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0075 0.0279 0.8429
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0075 0.0279 0.8429
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.0279 1
Brugia malayi Trypsin family protein 0.0086 0.0331 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0075 0.0279 0.8429
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0331 0.0331
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0075 0.0279 0.8429
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0075 0.0279 1
Loa Loa (eye worm) TWK-28 protein 0.0075 0.0279 0.0279
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0195 0.0195
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0075 0.0279 0.8429
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0004 0.0004
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0075 0.0279 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni lipoxygenase 0.0055 0.0178 0.0178
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0075 0.0279 1
Brugia malayi hypothetical protein 0.002 0.0004 0.0134
Plasmodium vivax potassium channel, putative 0.0075 0.0279 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0075 0.0279 0.8429
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0075 0.0279 0.0279
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0075 0.0279 0.0279
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0178 0.0178
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Leishmania major cathepsin L-like protease 0.0063 0.022 0.7871
Brugia malayi jmjC domain containing protein 0.0058 0.0195 0.59
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0075 0.0279 0.8429
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Giardia lamblia Hypothetical protein 0.0075 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Toxoplasma gondii ion channel protein 0.0075 0.0279 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0075 0.0279 0.8429
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Loa Loa (eye worm) doublecortin family protein 0.002 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus multilocularis potassium channel subfamily K 8 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0694 0.3329 0.3329
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0075 0.0279 0.8429
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0075 0.0279 0.8429
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0331 0.0331
Leishmania major cathepsin L-like protease 0.0063 0.022 0.7871
Brugia malayi hypothetical protein 0.002 0.0004 0.0134
Echinococcus multilocularis twik family of potassium channels 0.0075 0.0279 0.0279
Onchocerca volvulus 0.0075 0.0279 0.8408
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0075 0.0279 1
Mycobacterium ulcerans ion transport protein 0.0075 0.0279 1
Onchocerca volvulus 0.0075 0.0279 0.8408
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0773 0.372 0.372
Brugia malayi hypothetical protein 0.0075 0.0279 0.8429
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Plasmodium vivax potassium channel, putative 0.0075 0.0279 1
Schistosoma mansoni lipoxygenase 0.002 0.0004 0.0004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Schistosoma mansoni hypothetical protein 0.2046 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0075 0.0279 0.0279
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.0279 1
Echinococcus granulosus twik family of potassium channels 0.0075 0.0279 0.0279
Toxoplasma gondii ion channel protein 0.0075 0.0279 1
Onchocerca volvulus 0.0075 0.0279 0.8408
Echinococcus granulosus calcium activated potassium channel variant 0.0075 0.0279 0.0279
Onchocerca volvulus 0.0075 0.0279 0.8408
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0195 0.0195
Echinococcus granulosus potassium channel subfamily K 0.0075 0.0279 0.0279
Loa Loa (eye worm) TWK-7 protein 0.0075 0.0279 0.0279
Onchocerca volvulus 0.0075 0.0279 0.8408
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus granulosus potassium channel subfamily K 8 0.0075 0.0279 0.0279
Brugia malayi Doublecortin family protein 0.002 0.0004 0.0134
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0075 0.0279 0.8429
Leishmania major calcium/potassium channel (CAKC), putative 0.0075 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Leishmania major hypothetical protein, conserved 0.0075 0.0279 1
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0153 0.5482
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0075 0.0279 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0075 0.0279 0.8429
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.022 0.7871
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0279 1
Onchocerca volvulus 0.0075 0.0279 0.8408
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0075 0.0279 0.8429
Echinococcus granulosus microtubule associated protein 2 0.0683 0.3276 0.3276
Schistosoma mansoni twik family of potassium channels-related 0.0075 0.0279 0.0279
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0279 1
Onchocerca volvulus 0.0086 0.0331 1
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0195 0.0195
Echinococcus multilocularis potassium channel subfamily K 8 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.2046 1 1
Brugia malayi jmjC domain containing protein 0.0058 0.0195 0.59
Echinococcus multilocularis small conductance calcium activated potassium 0.2046 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0683 0.3276 0.3276
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Leishmania major hypothetical protein, conserved 0.0075 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.022 0.7871
Loa Loa (eye worm) uncoordinated protein 58 0.0075 0.0279 0.0279
Echinococcus granulosus potassium channel subfamily K 8 0.0075 0.0279 0.0279
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus multilocularis calcium activated potassium channel variant 0.0075 0.0279 0.0279
Schistosoma mansoni calcium-activated potassium channel 0.2046 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni calcium-activated potassium channel 0.1466 0.7142 0.7142
Echinococcus granulosus twik family of potassium channels 0.0075 0.0279 0.0279
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.0279 1
Onchocerca volvulus 0.0075 0.0279 0.8408
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0075 0.0279 0.8429
Loa Loa (eye worm) hypothetical protein 0.002 0.0004 0.0004
Echinococcus multilocularis microtubule associated protein 2 0.0683 0.3276 0.3276
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0193 0.6903
Onchocerca volvulus 0.0078 0.0293 0.8848
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.022 0.7871
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni calcium-activated potassium channel 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Schistosoma mansoni rab6-interacting 0.002 0.0004 0.0004
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0004 0.0004
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0075 0.0279 1
Leishmania major potassium channel subunit-like protein 0.0075 0.0279 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.0075 0.0279 0.0279
Echinococcus granulosus RUN 0.002 0.0004 0.0004
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0195 0.0195
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0195 0.0195
Onchocerca volvulus 0.0075 0.0279 0.8408
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0004 0.0004
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0004 0.0004
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0075 0.0279 0.8429

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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