Detailed information for compound 911178

Basic information

Technical information
  • TDR Targets ID: 911178
  • Name: N-(4-ethoxyphenyl)-2-[(4-methylbenzoyl)amino] -5,6-dihydro-4H-cyclopenta[d]thiophene-3-carb oxamide
  • MW: 420.524 | Formula: C24H24N2O3S
  • H donors: 2 H acceptors: 2 LogP: 5.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1ccc(cc1)C
  • InChi: 1S/C24H24N2O3S/c1-3-29-18-13-11-17(12-14-18)25-23(28)21-19-5-4-6-20(19)30-24(21)26-22(27)16-9-7-15(2)8-10-16/h7-14H,3-6H2,1-2H3,(H,25,28)(H,26,27)
  • InChiKey: OZPJCRRBXXKDGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethoxyphenyl)-2-[[(4-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide
  • N-(4-ethoxyphenyl)-2-[(4-methylphenyl)carbonylamino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxamide
  • AG-205/37267007
  • A2066/0086885
  • CBMicro_042631
  • Oprea1_184567
  • ZINC00716647
  • BIM-0042714.P001

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
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2796 0.2786
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0132 0.0879 0.0866
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0265 0.6635
Schistosoma mansoni microtubule-associated protein tau 0.1373 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0312
Loa Loa (eye worm) hypothetical protein 0.0031 0.0135 0.0234
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0265 0.6635
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0265 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0792 0.1509
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0265 0.0485
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0161 0.4028
Brugia malayi TAR-binding protein 0.0393 0.2796 0.5398
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0251 0.0237
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0265 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0051 0.0071
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0175 0.439
Onchocerca volvulus 0.0242 0.1692 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0014 0.0362
Echinococcus multilocularis GPCR, family 2 0.0132 0.0879 0.0866
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.067 1
Leishmania major hypothetical protein, conserved 0.0103 0.067 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0066 0.0399 0.0385
Onchocerca volvulus 0.0031 0.0135 0.0719
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0161 0.4028
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0161 0.4028
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0014 0.0362
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0265 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0135 0.1838
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0265 0.3813
Schistosoma mansoni hypothetical protein 0.0132 0.0879 0.0866
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0362
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0265 0.3813
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0265 0.3553
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0014 0.0362
Schistosoma mansoni hypothetical protein 0.0285 0.2004 0.1992
Brugia malayi Isocitrate dehydrogenase 0.0066 0.0399 0.0746
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0066 0.0399 0.5858
Schistosoma mansoni ap endonuclease 0.0019 0.0051 0.0037
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0014 0.0362
Loa Loa (eye worm) hypothetical protein 0.0103 0.067 0.1273
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0051 0.146
Toxoplasma gondii LsmAD domain-containing protein 0.0103 0.067 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0312
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0716 0.5168 0.5161
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0014 0.0362
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0265 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0265 0.0485
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.0718 0.0705
Toxoplasma gondii exonuclease III APE 0.0019 0.0051 0.0557
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0362
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0393 0.2796 0.5398
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0362
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0051 0.5
Echinococcus granulosus GPCR family 2 0.0132 0.0879 0.0866
Loa Loa (eye worm) hypothetical protein 0.0285 0.2004 0.386
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0175 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.0251 0.0237
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0135 0.0121
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0175 0.6421
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0312
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.0718 0.0705
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0066 0.0399 0.0385
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.067 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0066 0.0399 0.0746
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0066 0.0399 0.0385
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0132 0.0879 0.1678
Echinococcus granulosus tar DNA binding protein 0.0393 0.2796 0.2786
Schistosoma mansoni serine/threonine protein kinase 0.0716 0.5168 0.5161
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0051 0.0037
Brugia malayi RNA binding protein 0.0393 0.2796 0.5398
Brugia malayi Pre-SET motif family protein 0.0213 0.1476 0.2835
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0312
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0132 0.0879 0.0866
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0265 0.3813
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.1476 0.2835
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0051 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0051 0.0037
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0051 0.0071
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0265 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0265 0.0485
Onchocerca volvulus 0.0052 0.029 0.1645
Brugia malayi isocitrate dehydrogenase 0.0066 0.0399 0.0746
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0066 0.0399 0.0385
Brugia malayi Stress-activated protein kinase jnk-1 0.0716 0.5168 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0135 0.0121
Entamoeba histolytica hypothetical protein 0.011 0.0718 1
Schistosoma mansoni hypothetical protein 0.011 0.0718 0.0705
Schistosoma mansoni ap endonuclease 0.0019 0.0051 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2796 0.2786
Mycobacterium ulcerans hypothetical protein 0.0048 0.0265 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0051 0.0218
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0066 0.0399 0.5858
Brugia malayi latrophilin 2 splice variant baaae 0.0285 0.2004 0.386
Loa Loa (eye worm) hypothetical protein 0.0417 0.2973 0.574
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0051 0.0218
Brugia malayi RNA recognition motif domain containing protein 0.0393 0.2796 0.5398
Echinococcus granulosus tumor protein p63 0.0353 0.2506 0.2495
Schistosoma mansoni transcription factor LCR-F1 0.011 0.0718 0.0705
Entamoeba histolytica hypothetical protein 0.011 0.0718 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0014 0.0362
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0051 0.0557
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0066 0.0399 0.5858
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0265 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0265 0.3553
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0132 0.0879 0.0866
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0175 0.2448
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0135 0.0121
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0132 0.0879 0.0866
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0066 0.0399 0.0385
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.067 1
Toxoplasma gondii isocitrate dehydrogenase 0.0066 0.0399 0.5858
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0014 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0265 0.0485
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0051 0.0519
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0135 0.0121
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0135 0.0121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0066 0.0399 0.0385
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0265 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0175 0.2448
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0362
Loa Loa (eye worm) hypothetical protein 0.0048 0.0265 0.0485
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0135 0.0121
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0792 0.1509
Loa Loa (eye worm) hypothetical protein 0.0052 0.029 0.0535
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0417 0.2973 0.574
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0051 0.1278
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0051 0.0557
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0312
Trichomonas vaginalis set domain proteins, putative 0.0242 0.1692 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0417 0.2973 0.574
Schistosoma mansoni hypothetical protein 0.0132 0.0879 0.0866
Echinococcus granulosus c-Jun N-terminal kinases 0.0716 0.5168 0.5161
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0066 0.0399 0.5858
Loa Loa (eye worm) hypothetical protein 0.0048 0.0265 0.0485
Brugia malayi Latrophilin receptor protein 2 0.0132 0.0879 0.1678
Trypanosoma brucei PAB1-binding protein , putative 0.0103 0.067 1
Onchocerca volvulus 0.0048 0.0265 0.1491
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0066 0.0399 0.5858
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0066 0.0399 1
Plasmodium vivax ataxin-2 like protein, putative 0.0103 0.067 1
Schistosoma mansoni hypothetical protein 0.0132 0.0879 0.0866
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0066 0.0399 0.5858
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0417 0.2973 0.574
Loa Loa (eye worm) hypothetical protein 0.0132 0.0879 0.1678
Brugia malayi hypothetical protein 0.0103 0.067 0.1273
Brugia malayi hypothetical protein 0.0067 0.0401 0.075
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2796 0.2786
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0161 0.4028
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0051 0.0557
Echinococcus multilocularis tar DNA binding protein 0.0393 0.2796 0.2786
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0251 0.0237
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0066 0.0399 0.5858
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0265 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0132 0.0879 0.1678
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0265 0.3553
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0051 0.0557
Entamoeba histolytica hypothetical protein 0.011 0.0718 1
Echinococcus multilocularis tumor protein p63 0.0353 0.2506 0.2495
Loa Loa (eye worm) RNA binding protein 0.0393 0.2796 0.5398
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0051 0.0557
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.029 0.0276
Echinococcus multilocularis isocitrate dehydrogenase 0.0066 0.0399 0.0385
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0051 0.0557
Loa Loa (eye worm) TAR-binding protein 0.0393 0.2796 0.5398
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0265 1
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2796 0.2786
Brugia malayi Pre-SET motif family protein 0.0031 0.0135 0.0234
Schistosoma mansoni hypothetical protein 0.0132 0.0879 0.0866
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.067 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0135 0.1838
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0135 0.0121
Brugia malayi MH2 domain containing protein 0.012 0.0792 0.1509
Toxoplasma gondii isocitrate dehydrogenase 0.0066 0.0399 0.5858
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0127 0.0112
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0051 0.5
Echinococcus multilocularis microtubule associated protein 2 0.1373 1 1
Brugia malayi hypothetical protein 0.011 0.0718 0.1366
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2796 0.2786
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0716 0.5168 1
Entamoeba histolytica hypothetical protein 0.011 0.0718 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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