Detailed information for compound 770879

Basic information

Technical information
  • TDR Targets ID: 770879
  • Name: 6-tert-butyl-N-(2-hydroxyethyl)-2-[(2-methylb enzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiop hene-3-carboxamide
  • MW: 414.561 | Formula: C23H30N2O3S
  • H donors: 3 H acceptors: 3 LogP: 5.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccccc1C
  • InChi: 1S/C23H30N2O3S/c1-14-7-5-6-8-16(14)20(27)25-22-19(21(28)24-11-12-26)17-10-9-15(23(2,3)4)13-18(17)29-22/h5-8,15,26H,9-13H2,1-4H3,(H,24,28)(H,25,27)
  • InChiKey: WHEHXAWWFVXZQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-tert-butyl-N-(2-hydroxyethyl)-2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 6-tert-butyl-N-(2-hydroxyethyl)-2-[[(2-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 6-tert-butyl-N-(2-hydroxyethyl)-2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • Oprea1_446205
  • BAS 03716142
  • AP-064/15228338
  • Oprea1_241586

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 histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0293 0.0272
Onchocerca volvulus 0.0029 0.0276 0.0609
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0293 0.3301
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.048 0.1799
Brugia malayi Peptidase family M28 containing protein 0.0015 0.011 0.0282
Brugia malayi CXXC zinc finger family protein 0.0029 0.0276 0.0962
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2479 0.8652
Loa Loa (eye worm) hypothetical protein 0.0015 0.011 0.0239
Echinococcus granulosus dnaJ subfamily B 0.0406 0.5004 0.596
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0115 0.0302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.048 0.046
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0115 0.0094
Schistosoma mansoni cpg binding protein 0.0029 0.0276 0.0305
Plasmodium vivax SET domain protein, putative 0.003 0.0293 1
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0021 0.018 0.1265
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0664 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0664 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.048 0.0549
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0664 0.0644
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0293 0.0325
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.048 0.0549
Schistosoma mansoni nicalin (M28 family) 0.0015 0.011 0.0106
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.8381 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.2597 0.9072
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0272 0.03
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0664 1
Schistosoma mansoni hypothetical protein 0.0034 0.0343 0.0385
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.011 0.0389
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0343 0.1235
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.015 0.1799 0.2127
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0043 0.0022
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0015 0.011 0.0106
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0276 0.0828
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0015 0.011 0.0089
Brugia malayi Pre-SET motif family protein 0.003 0.0293 0.1031
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0232 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.048 0.1552
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0232 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0664 0.0768
Loa Loa (eye worm) hypothetical protein 0.0015 0.011 0.0239
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0115 0.0112
Schistosoma mansoni Fxna peptidase (M28 family) 0.0015 0.011 0.0106
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0015 0.011 0.0106
Schistosoma mansoni cpg binding protein 0.003 0.0296 0.0329
Loa Loa (eye worm) hypothetical protein 0.0049 0.0539 0.1761
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.011 0.0389
Schistosoma mansoni hypothetical protein 0.0016 0.0115 0.0112
Schistosoma mansoni hypothetical protein 0.0016 0.0115 0.0112
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0043 0.0026
Schistosoma mansoni hypothetical protein 0.0016 0.0115 0.0112
Brugia malayi Pre-SET motif family protein 0.0204 0.2479 1
Schistosoma mansoni hypothetical protein 0.0166 0.1997 0.2363
Brugia malayi leucyl aminopeptidase 0.0015 0.011 0.0282
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0664 0.0768
Brugia malayi FXNA 0.0015 0.011 0.0282
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0232 0.5
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0015 0.011 0.0106
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0539 0.1761
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0232 1
Schistosoma mansoni hypothetical protein 0.0166 0.1997 0.2363
Loa Loa (eye worm) hypothetical protein 0.0015 0.011 0.0239
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0664 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.006 0.0038
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0293 0.0325
Loa Loa (eye worm) leucyl aminopeptidase 0.0015 0.011 0.0239
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2832 1
Echinococcus granulosus geminin 0.0166 0.1997 0.2363
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0015 0.011 0.0389
Brugia malayi hypothetical protein 0.0025 0.0232 0.0783
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.006 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0293 0.0325
Onchocerca volvulus 0.0233 0.2832 1
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.8381 0.8378
Schistosoma mansoni hypothetical protein 0.0406 0.5004 0.596
Loa Loa (eye worm) hypothetical protein 0.003 0.0293 0.0888
Echinococcus granulosus microtubule associated protein 2 0.0676 0.8381 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0664 0.0768
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0539 0.204
Brugia malayi hypothetical protein 0.0016 0.0121 0.0327
Leishmania major hypothetical protein, conserved 0.0025 0.0232 0.2208
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.048 0.0549
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0015 0.011 0.0106
Loa Loa (eye worm) hypothetical protein 0.0025 0.0232 0.0673
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0293 0.0325
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0609 0.9011
Schistosoma mansoni hypothetical protein 0.0016 0.0115 0.0112
Brugia malayi nicalin 0.0015 0.011 0.0282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.048 0.0549
Schistosoma mansoni cpg binding protein 0.003 0.0296 0.0329
Echinococcus multilocularis dnaJ subfamily B 0.0406 0.5004 0.4993
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.048 0.046
Loa Loa (eye worm) hypothetical protein 0.0034 0.0343 0.1065
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0115 0.0256
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0115 0.0094
Loa Loa (eye worm) hypothetical protein 0.0016 0.0115 0.0256
Loa Loa (eye worm) hypothetical protein 0.0156 0.1869 0.6487
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.011 0.0389
Echinococcus multilocularis GPCR, family 2 0.0016 0.0115 0.0094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0664 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0229 0.2789 0.2773
Echinococcus multilocularis cpg binding protein 0.003 0.0296 0.0276
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0021 0.018 0.1265
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0115 0.0112
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0232 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.069 0.08
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.048 0.0549
Schistosoma mansoni hypothetical protein 0.0011 0.006 0.0046
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0232 0.2208
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0293 0.0272
Onchocerca volvulus 0.003 0.0293 0.0671
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0539 0.204
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0115 0.0302
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0015 0.011 0.0106
Echinococcus granulosus GPCR family 2 0.0016 0.0115 0.0112
Echinococcus granulosus cpg binding protein 0.003 0.0296 0.0329
Echinococcus multilocularis geminin 0.0166 0.1997 0.198
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0293 0.0325
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0015 0.011 0.0089
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0664 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0015 0.011 0.0089
Loa Loa (eye worm) hypothetical protein 0.0235 0.2859 1

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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