Detailed information for compound 810969

Basic information

Technical information
  • TDR Targets ID: 810969
  • Name: 2-acetamido-N-(2-methoxyphenyl)-4,5,6,7-tetra hydro-1-benzothiophene-3-carboxamide
  • MW: 344.428 | Formula: C18H20N2O3S
  • H donors: 2 H acceptors: 2 LogP: 3.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)c1c(NC(=O)C)sc2c1CCCC2
  • InChi: 1S/C18H20N2O3S/c1-11(21)19-18-16(12-7-3-6-10-15(12)24-18)17(22)20-13-8-4-5-9-14(13)23-2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,21)(H,20,22)
  • InChiKey: IKVVFLVUQPZZQZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-acetamido-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • CBMicro_007516
  • BAS 00831931
  • STK006273
  • ZINC04550454
  • Oprea1_101517
  • BIM-0007641.P001
  • Oprea1_225463

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 multilocularis tubulin alpha chain 0.0476 0.3191 0.0974
Schistosoma mansoni alpha tubulin 0.0476 0.3191 0.0974
Echinococcus granulosus tubulin alpha chain 0.0476 0.3191 0.0974
Schistosoma mansoni tubulin subunit beta 0.0982 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin gamma chain, putative 0.0421 0.2457 0.2457
Trichomonas vaginalis tubulin beta chain, putative 0.0982 1 1
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Leishmania major beta tubulin 0.0982 1 1
Brugia malayi tubulin alpha-2 chain 0.0476 0.3191 0.3191
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Brugia malayi tubulin alpha chain - mouse 0.0476 0.3191 0.3191
Echinococcus multilocularis Tubulin beta 2C chain 0.0982 1 1
Echinococcus multilocularis tubulin alpha chain 0.0476 0.3191 0.0974
Echinococcus granulosus Tubulin alpha 1 chain 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin epsilon chain, putative 0.0982 1 1
Trypanosoma brucei tubulin gamma chain 0.0421 0.2457 0.2457
Echinococcus granulosus tubulin alpha chain 0.0476 0.3191 0.0974
Loa Loa (eye worm) BEN-1 protein 0.0982 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0476 0.3191 0.0974
Trypanosoma brucei beta tubulin 0.0982 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.3191 0.3191
Echinococcus granulosus tubulin alpha 1C chain 0.0476 0.3191 0.0974
Giardia lamblia Alpha-tubulin 0.0476 0.3191 0.0974
Loa Loa (eye worm) tubulin alpha chain 0.0476 0.3191 0.2652
Loa Loa (eye worm) tubulin beta-2A chain 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin alpha chain, putative 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Echinococcus multilocularis hypothetical protein 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin epsilon chain, putative 0.0982 1 1
Schistosoma mansoni tubulin subunit beta 0.0982 1 1
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Plasmodium falciparum alpha tubulin 1 0.0476 0.3191 0.0974
Leishmania major beta tubulin 0.0982 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0293 0.0734 0.0734
Echinococcus granulosus Tubulin beta 2C chain 0.0982 1 1
Entamoeba histolytica tubulin family protein 0.0982 1 1
Echinococcus granulosus beta tubulin 0.0982 1 1
Trypanosoma brucei alpha tubulin 0.0476 0.3191 0.3191
Leishmania major beta tubulin 0.0982 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Echinococcus granulosus tubulin subunit beta 0.0982 1 1
Schistosoma mansoni alpha tubulin 0.0476 0.3191 0.0974
Schistosoma mansoni tubulin subunit alpha 0.0476 0.3191 0.0974
Schistosoma mansoni tubulin subunit beta 0.0982 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0476 0.3191 0.0974
Schistosoma mansoni alpha tubulin 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin alpha chain, putative 0.0421 0.2457 0.2457
Plasmodium vivax tubulin beta chain, putative 0.0982 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0982 1 1
Brugia malayi Tubulin gamma chain 0.0421 0.2457 0.2457
Echinococcus multilocularis tubulin beta 1 chain 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0476 0.3191 0.0974
Echinococcus granulosus tubulin beta 4A class IVa 0.0982 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0476 0.3191 0.0974
Toxoplasma gondii beta tubulin 0.0982 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0476 0.3191 0.0974
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Trypanosoma brucei epsilon tubulin 0.0421 0.2457 0.2457
Leishmania major beta tubulin 0.0982 1 1
Trypanosoma brucei beta tubulin 0.0982 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.3191 0.3191
Trichomonas vaginalis tubulin gamma chain, putative 0.0982 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.3191 0.3191
Giardia lamblia Beta tubulin 0.0982 1 1
Trypanosoma brucei alpha tubulin 0.0476 0.3191 0.3191
Loa Loa (eye worm) tubulin alpha chain 0.0476 0.3191 0.2652
Echinococcus multilocularis Tubulin alpha 1 chain 0.0476 0.3191 0.0974
Leishmania major beta tubulin 0.0982 1 1
Echinococcus granulosus tubulin alpha chain 0.0476 0.3191 0.0974
Loa Loa (eye worm) hypothetical protein 0.0476 0.3191 0.2652
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Echinococcus granulosus Tubulin beta 2C chain 0.0982 1 1
Trypanosoma brucei alpha tubulin 0.0476 0.3191 0.3191
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.3191 0.3191
Leishmania major beta tubulin 0.0982 1 1
Echinococcus multilocularis tubulin subunit beta 0.0982 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0476 0.3191 0.0974
Entamoeba histolytica tubulin alpha-1 chain 0.0476 0.3191 0.0974
Brugia malayi Tubulin alpha-2 chain 0.0476 0.3191 0.3191
Leishmania major beta tubulin 0.0982 1 1
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Loa Loa (eye worm) tubulin beta chain 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0476 0.3191 0.0974
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Echinococcus granulosus tubulin alpha 3 chain 0.0476 0.3191 0.0974
Trypanosoma cruzi beta tubulin, putative 0.0982 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0476 0.3191 0.3191
Plasmodium vivax tubulin alpha chain, putative 0.0476 0.3191 0.0974
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Toxoplasma gondii beta-1 tubulin, putative 0.0982 1 1
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Trypanosoma brucei beta tubulin 0.0982 1 1
Echinococcus granulosus tubulin alpha chain 0.0476 0.3191 0.0974
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Echinococcus multilocularis Tubulin beta 2C chain 0.0982 1 1
Trypanosoma brucei epsilon tubulin 0.0421 0.2457 0.2457
Loa Loa (eye worm) alpha-tubulin 0.0476 0.3191 0.2652
Echinococcus multilocularis tubulin alpha 3 chain 0.0476 0.3191 0.0974
Echinococcus granulosus Tubulin beta 2C chain 0.0982 1 1
Brugia malayi beta-tubulin, identical 0.0982 1 1
Schistosoma mansoni tubulin subunit beta 0.0982 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0982 1 1
Entamoeba histolytica tubulin family protein 0.0982 1 1
Echinococcus granulosus alpha tubulin 0.0476 0.3191 0.0974
Giardia lamblia Beta tubulin 0.0982 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0982 1 1
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Giardia lamblia Alpha-tubulin 0.0476 0.3191 0.0974
Onchocerca volvulus 0.0238 0 0.5
Echinococcus multilocularis beta tubulin 0.0982 1 1
Echinococcus multilocularis tubulin alpha chain 0.0476 0.3191 0.0974
Trypanosoma brucei beta tubulin 0.0421 0.2457 0.2457
Schistosoma mansoni tubulin subunit beta 0.0982 1 1
Schistosoma mansoni tubulin subunit alpha 0.0476 0.3191 0.0974
Echinococcus granulosus Tubulin alpha 1 chain 0.0476 0.3191 0.0974
Loa Loa (eye worm) alpha-tubulin 0.0476 0.3191 0.2652
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.3191 0.3191
Echinococcus granulosus peroxisome assembly protein 26 0.0476 0.3191 0.0974
Schistosoma mansoni tubulin subunit beta 0.0982 1 1
Loa Loa (eye worm) BEN-1 protein 0.0982 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0982 1 1
Plasmodium falciparum alpha tubulin 2 0.0476 0.3191 0.0974
Echinococcus multilocularis Tubulin alpha 1 chain 0.0476 0.3191 0.0974
Echinococcus multilocularis tubulin alpha chain 0.0476 0.3191 0.0974
Brugia malayi Tubulin alpha chain 0.0476 0.3191 0.3191
Trypanosoma cruzi alpha tubulin, putative 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin epsilon chain, putative 0.0476 0.3191 0.3191
Schistosoma mansoni tubulin subunit alpha 0.0476 0.3191 0.0974
Plasmodium vivax tubulin alpha chain, putative 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin beta chain, putative 0.0476 0.3191 0.3191
Leishmania major beta tubulin 0.0982 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0421 0.2457 0.1859
Loa Loa (eye worm) tubulin beta-1 chain 0.0982 1 1
Loa Loa (eye worm) beta-tubulin 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Toxoplasma gondii beta-tubulin, putative 0.0982 1 1
Trypanosoma brucei alpha tubulin 0.0476 0.3191 0.3191
Trypanosoma brucei epsilon tubulin 0.0421 0.2457 0.2457
Plasmodium falciparum tubulin beta chain 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0476 0.3191 0.2652
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0982 1 1
Brugia malayi alpha-tubulin 0.0476 0.3191 0.3191
Trichomonas vaginalis tubulin, putative 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Leishmania major alpha tubulin 0.0476 0.3191 0.0974
Toxoplasma gondii alpha-tubulin I, putative 0.0476 0.3191 0.0974
Echinococcus multilocularis beta tubulin 0.0982 1 1
Trypanosoma brucei beta tubulin 0.0982 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0476 0.3191 0.0974
Brugia malayi Tubulin alpha-2 chain 0.0476 0.3191 0.3191
Giardia lamblia Beta tubulin 0.0982 1 1
Echinococcus multilocularis tubulin alpha chain 0.0476 0.3191 0.0974
Echinococcus granulosus tubulin subunit TubB 0.0476 0.3191 0.0974
Echinococcus granulosus tubulin beta 1 chain 0.0982 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0476 0.3191 0.0974
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0476 0.3191 0.3191
Trichomonas vaginalis tubulin gamma chain, putative 0.0421 0.2457 0.2457
Echinococcus granulosus beta tubulin 0.0982 1 1
Leishmania major beta tubulin 0.0982 1 1
Echinococcus granulosus tubulin alpha chain 0.0476 0.3191 0.0974

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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