Detailed information for compound 1179579

Basic information

Technical information
  • TDR Targets ID: 1179579
  • Name: 6-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfon ylbenzoyl]amino]-5,7-dihydro-4H-thieno[5,4-c] pyridine-3-carboxamide
  • MW: 476.612 | Formula: C22H28N4O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CCN(C2)C
  • InChi: 1S/C22H28N4O4S2/c1-14-7-11-26(12-8-14)32(29,30)16-5-3-15(4-6-16)21(28)24-22-19(20(23)27)17-9-10-25(2)13-18(17)31-22/h3-6,14H,7-13H2,1-2H3,(H2,23,27)(H,24,28)
  • InChiKey: UGRRWFRETRXUPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-2-[[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • 6-methyl-2-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • 6-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • Oprea1_789306

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) D-ets-2 protein 0.0012 0.0191 0.0279
Schistosoma mansoni cpg binding protein 0.0032 0.0648 0.0648
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0787 1
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Mycobacterium ulcerans beta-lactamase 0.0037 0.0787 0.5
Echinococcus granulosus cpg binding protein 0.0032 0.0648 0.0578
Loa Loa (eye worm) hypothetical protein 0.0016 0.0288 0.044
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0787 0.0718
Brugia malayi transcription factor E74 isoform 0.0012 0.0191 0.0279
Echinococcus granulosus ETS transcription factor Elf 1 0.0012 0.0191 0.0118
Schistosoma mansoni gabp alpha 0.0085 0.1918 0.1918
Brugia malayi beta-lactamase family protein 0.0037 0.0787 0.1272
Echinococcus multilocularis ETS transcription factor Elf 5 0.0012 0.0191 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0787 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0787 0.5
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0191 0.0118
Echinococcus granulosus ETS domain containing protein Elk 1 0.0012 0.0191 0.0118
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0787 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0125 0.0169
Loa Loa (eye worm) beta-lactamase 0.0037 0.0787 0.1272
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.5579 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0787 0.0787
Mycobacterium ulcerans hypothetical protein 0.0037 0.0787 0.5
Echinococcus multilocularis protein C ets 2 0.0012 0.0191 0.0118
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0012 0.0191 0.0191
Schistosoma mansoni smad1 5 8 and 0.001 0.0125 0.0125
Schistosoma mansoni smad1 5 8 and 0.001 0.0125 0.0125
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0012 0.0191 0.0279
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0288 0.0215
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0787 0.0787
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0787 0.5
Echinococcus multilocularis ETS transcription factor Elf 1 0.0012 0.0191 0.0118
Brugia malayi Smad1 0.001 0.0125 0.0169
Brugia malayi Ets-domain containing protein 0.0012 0.0191 0.0279
Schistosoma mansoni cpg binding protein 0.003 0.0608 0.0608
Echinococcus multilocularis GA binding protein alpha chain 0.0085 0.1918 0.1857
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.3227 0.5335
Brugia malayi MH2 domain containing protein 0.001 0.0125 0.0169
Brugia malayi MH1 domain containing protein 0.001 0.0125 0.0169
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0288 0.044
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0125 0.0169
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.1272
Brugia malayi beta-lactamase 0.0037 0.0787 0.1272
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0288 0.044
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0787 0.0718
Mycobacterium ulcerans lipase LipD 0.0037 0.0787 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.1272
Loa Loa (eye worm) fli-1 protein 0.0258 0.6029 1
Schistosoma mansoni hypothetical protein 0.0012 0.0191 0.0191
Brugia malayi MH1 domain containing protein 0.001 0.0125 0.0169
Echinococcus granulosus protein C ets 2 0.0012 0.0191 0.0118
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1403 0.1403
Echinococcus granulosus smad 0.001 0.0125 0.0051
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0787 1
Leishmania major hypothetical protein, conserved 0.0037 0.0787 0.5
Echinococcus multilocularis smad 0.001 0.0125 0.0051
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0608 0.0972
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0125 0.0051
Brugia malayi beta-lactamase family protein 0.0037 0.0787 0.1272
Echinococcus multilocularis Smad4 0.001 0.0125 0.0051
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.1272
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.1272
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0787 0.5
Echinococcus multilocularis ewsr:fli fusion protein type 0.0012 0.0191 0.0118
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0125 0.0051
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0125 0.0125
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.074 0.1193
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.3227 0.5335
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1129 0.1841
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.1272
Onchocerca volvulus 0.0037 0.0787 1
Loa Loa (eye worm) ets-domain-containing protein 0.0012 0.0191 0.0279
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0012 0.0191 0.0279
Loa Loa (eye worm) hypothetical protein 0.0035 0.074 0.1193
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0152
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0191 0.0118
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0125 0.0051
Loa Loa (eye worm) Smad1 0.001 0.0125 0.0169
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0787 1
Brugia malayi Fli-1 protein 0.0258 0.6029 1
Brugia malayi MH2 domain containing protein 0.014 0.3227 0.5335
Mycobacterium leprae Probable lipase LipE 0.0037 0.0787 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Trichomonas vaginalis esterase, putative 0.0037 0.0787 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1625 0.2666
Echinococcus multilocularis GPCR, family 2 0.0016 0.0288 0.0215
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0787 0.1272
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0012 0.0191 0.0118
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0787 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0035 0.074 0.074
Brugia malayi Ets-domain containing protein 0.0085 0.1918 0.3154
Onchocerca volvulus 0.0037 0.0787 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0085 0.1918 0.3154
Echinococcus multilocularis cpg binding protein 0.0032 0.0648 0.0578
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0288 0.0215
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0191 0.0118
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0288 0.0215
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Echinococcus granulosus GPCR family 2 0.0016 0.0288 0.0215
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.1272
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1129 0.1841
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0125 0.0051
Schistosoma mansoni hypothetical protein 0.0012 0.0191 0.0191
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0157
Brugia malayi DNA-binding protein D-ETS-3 0.0012 0.0191 0.0279
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0279
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0787 1
Echinococcus granulosus ewsr:fli fusion protein type 0.0012 0.0191 0.0118
Schistosoma mansoni smad 0.001 0.0125 0.0125
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0787 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1129 0.1841
Echinococcus multilocularis ets variant gene 4 0.0012 0.0191 0.0118
Brugia malayi CXXC zinc finger family protein 0.003 0.0608 0.0972
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0279
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0787 0.1272
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0288 0.044
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0191 0.0118
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1242 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0787 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0125 0.0169
Schistosoma mansoni elf1 0.0012 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0052 0.1129 0.1841
Schistosoma mansoni ets-related 0.0258 0.6029 0.6029
Echinococcus granulosus Smad4 0.001 0.0125 0.0051
Schistosoma mansoni ets 0.0012 0.0191 0.0191
Schistosoma mansoni smad1 5 8 and 0.001 0.0125 0.0125
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0288 0.0215
Echinococcus granulosus GA binding protein alpha chain 0.0085 0.1918 0.1857
Schistosoma mansoni cpg binding protein 0.0032 0.0648 0.0648
Schistosoma mansoni ets-related 0.0012 0.0191 0.0191
Brugia malayi Ets-domain containing protein 0.0085 0.1918 0.3154
Onchocerca volvulus 0.0037 0.0787 1
Echinococcus granulosus ETS transcription factor Elf 5 0.0012 0.0191 0.0118
Schistosoma mansoni Smad4 0.001 0.0125 0.0125

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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