Detailed information for compound 621870

Basic information

Technical information
  • TDR Targets ID: 621870
  • Name: 3-(4-ethoxyphenyl)-2-[2-(2-ethylpiperidin-1-y l)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[2,3- e]pyrimidin-4-one
  • MW: 459.625 | Formula: C23H29N3O3S2
  • H donors: 0 H acceptors: 2 LogP: 4.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)n1c(SCC(=O)N2CCCCC2CC)nc2c(c1=O)SCC2
  • InChi: 1S/C23H29N3O3S2/c1-3-16-7-5-6-13-25(16)20(27)15-31-23-24-19-12-14-30-21(19)22(28)26(23)17-8-10-18(11-9-17)29-4-2/h8-11,16H,3-7,12-15H2,1-2H3
  • InChiKey: JHRVBIKCQUKNSW-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(4-ethoxyphenyl)-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6,7-dihydrothieno[2,3-e]pyrimidin-4-one
  • 3-(4-ethoxyphenyl)-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-6,7-dihydrothieno[2,3-e]pyrimidin-4-one
  • 3-(4-ethoxyphenyl)-2-[[2-(2-ethyl-1-piperidyl)-2-keto-ethyl]thio]-6,7-dihydrothieno[2,3-e]pyrimidin-4-one
  • 3-(4-ethoxyphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxo-ethyl]sulfanyl-6,7-dihydrothieno[2,3-e]pyrimidin-4-one

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
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0322 0.9176 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0126 0.3489 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.0464 0.0098
Brugia malayi CXXC zinc finger family protein 0.0029 0.0678 0.0739
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0138 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0138 0.0151
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0138 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0138 0.0151
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0576 0.0128
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0126 0.3489 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0011 0.0173 0.0173
Onchocerca volvulus 0.0029 0.0678 0.2973
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0138 0.0138
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.1953 0.1709
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0138 0.0708
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0021 0.0464 0.0464
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0464 0.2376
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0138 0.0138
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0138 0.0138
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.1953 0.4924
Echinococcus granulosus cpg binding protein 0.003 0.0725 0.0725
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0126 0.3489 0.3489
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0322 0.9176 1
Schistosoma mansoni hypothetical protein 0.035 1 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.0464 0.0098
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0464 0.0506
Leishmania major hypothetical protein, conserved 0.0025 0.0576 0.0128
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0464 0.0098
Schistosoma mansoni acetyl-CoA synthetase 0.0021 0.0464 0.0464
Echinococcus granulosus FTZ F1 alpha 0.001 0.0138 0.0138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0138 0.0151
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1953 0.2129
Brugia malayi hypothetical protein 0.0025 0.0576 0.0628
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1334 0.1087
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0138 0.0138
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0138 0.0138
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1953 0.1709
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0126 0.3489 0.3489
Schistosoma mansoni thyroid hormone receptor 0.001 0.0138 0.0138
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.01 0.0108
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.1953 0.1709
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.0464 0.0098
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1953 0.1709
Loa Loa (eye worm) hypothetical protein 0.0021 0.0464 0.2376
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0576 0.0128
Echinococcus multilocularis cpg binding protein 0.003 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0054 0.1421 0.7272
Onchocerca volvulus 0.0021 0.0464 0.1796
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0138 0.0151
Schistosoma mansoni cpg binding protein 0.0029 0.0678 0.0678
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0464 0.0098
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0021 0.0464 0.0506
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0073 0.1953 0.1709
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0678 0.3471
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0052 0.0052
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1334 0.1087
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0322 0.9176 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0138 0.0138
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0464 0.1246
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0126 0.3489 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0464 0.1246
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0073 0.1953 1
Schistosoma mansoni coup transcription factor 0.001 0.0138 0.0138
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.1421 0.1185
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0138 0.0151
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0052 0.0052
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0021 0.0464 0.0464
Brugia malayi hypothetical protein 0.0016 0.0317 0.0346
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1423 0.1101
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.1953 0.4924
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0464 0.0506
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0073 0.1953 0.1709
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0138 0.0151
Schistosoma mansoni cpg binding protein 0.003 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0138 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0138 0.0151
Brugia malayi steroid hormone receptor 0.001 0.0138 0.0151
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0138 0.0138
Leishmania major dihydroorotate dehydrogenase 0.0322 0.9176 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0138 0.0151
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1953 0.1709
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.1421 0.1098
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.1421 0.1098
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0464 0.0506
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0054 0.1421 0.7272
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0138 0.0151
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0138 0.0138
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0126 0.3489 0.3489
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0138 0.0151
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0576 0.0128
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0464 0.0506
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1612 0.1612
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.0464 0.0098
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0322 0.9176 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0138 0.0138
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0138 0.0151
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0322 0.9176 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0138 0.0708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0138 0.0708
Onchocerca volvulus 0.0073 0.1953 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0138 0.0708
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0464 0.0506
Schistosoma mansoni nuclear hormone receptor 0.001 0.0138 0.0138
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0322 0.9176 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1953 0.1709
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.1953 0.1709
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0322 0.9176 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1334 0.1087
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0126 0.3489 0.3472
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0138 0.0708
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0322 0.9176 1
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.1421 0.1098
Loa Loa (eye worm) hypothetical protein 0.0073 0.1953 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0138 0.0138
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0138 0.0138
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0138 0.0138
Mycobacterium ulcerans hypothetical protein 0.0073 0.1953 0.1709
Brugia malayi nuclear receptor NHR-88 0.001 0.0138 0.0151
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0052 0.0052
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0576 0.0128
Onchocerca volvulus 0.0021 0.0464 0.1796
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0103 0.0103
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0103 0.0103
Schistosoma mansoni dihydroorotate dehydrogenase 0.0322 0.9176 0.9176
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0138 0.0708
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0464 0.0098
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0073 0.1953 1
Brugia malayi nuclear hormone receptor 0.001 0.0138 0.0151
Loa Loa (eye worm) hypothetical protein 0.0054 0.1421 0.7272
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0464 0.2376
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0073 0.1953 0.1791
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0138 0.0138
Entamoeba histolytica acyl-coA synthetase, putative 0.0073 0.1953 0.4924
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0126 0.3489 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0138 0.0138
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.0464 0.0098
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Brugia malayi ecdysteroid receptor 0.001 0.0138 0.0151
Echinococcus multilocularis geminin 0.035 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0138 0.0151
Loa Loa (eye worm) oxidoreductase 0.0021 0.0464 0.2376
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0322 0.9176 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.1953 0.1709
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0054 0.1421 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0576 0.2949
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0138 0.0138
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.1953 0.1791
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0138 0.0151
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0138 0.0708
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0138 0.0138
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0103 0.0526
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.0464 0.0098
Schistosoma mansoni cpg binding protein 0.003 0.0725 0.0725
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0576 0.0128
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0126 0.3489 0.3489
Onchocerca volvulus 0.0021 0.0464 0.1796
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0138 0.0138
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0138 0.0708
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0576 0.0128
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0126 0.3489 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0138 0.0138
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0138 0.0138
Plasmodium falciparum dihydroorotate dehydrogenase 0.0322 0.9176 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0322 0.9176 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0138 0.0138
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1334 0.1087
Loa Loa (eye worm) hypothetical protein 0.0054 0.1421 0.7272
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1953 0.1709
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0708
Loa Loa (eye worm) hypothetical protein 0.0054 0.1421 0.7272
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.035 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0126 0.3489 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0052 0.0052
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0126 0.3489 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0138 0.0138
Brugia malayi Zinc finger, C2H2 type family protein 0.0126 0.3489 0.3802
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0322 0.9176 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.0464 0.0098
Loa Loa (eye worm) hypothetical protein 0.0021 0.0464 0.2376
Onchocerca volvulus 0.0021 0.0464 0.1796
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0464 0.0098
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0138 0.0138
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1953 0.1709
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0322 0.9176 1
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1953 0.2129
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1953 0.2129
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0576 0.0128

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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