Detailed information for compound 881529

Basic information

Technical information
  • TDR Targets ID: 881529
  • Name: 2-methylpropyl 3-[(3-ethoxycarbonylphenyl)met hyl]-5-methyl-4-oxothieno[5,4-d]pyrimidine-6- carboxylate
  • MW: 428.501 | Formula: C22H24N2O5S
  • H donors: 0 H acceptors: 3 LogP: 4.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)Cn1cnc2c(c1=O)c(C)c(s2)C(=O)OCC(C)C
  • InChi: 1S/C22H24N2O5S/c1-5-28-21(26)16-8-6-7-15(9-16)10-24-12-23-19-17(20(24)25)14(4)18(30-19)22(27)29-11-13(2)3/h6-9,12-13H,5,10-11H2,1-4H3
  • InChiKey: ZGWNZLDENMLZBJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • isobutyl 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylate
  • 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-6-thieno[5,4-d]pyrimidinecarboxylic acid isobutyl ester
  • 3-(3-carbethoxybenzyl)-4-keto-5-methyl-thieno[5,4-d]pyrimidine-6-carboxylic acid isobutyl ester
  • 2-methylpropyl 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylate

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 granulosus neutral amino acid transporter 0.0122 0.1334 0.3313
Onchocerca volvulus 0.0026 0.0069 0.0346
Schistosoma mansoni retinoic acid receptor RXR 0.0026 0.0069 0.0246
Brugia malayi laminin-like protein K08C7.3 precursor 0.005 0.0395 0.0395
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0403 0.0403
Echinococcus multilocularis tissue type plasminogen activator 0.0022 0.0023 0.0058
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Onchocerca volvulus Bile acid receptor homolog 0.0026 0.0069 0.0346
Schistosoma mansoni hypothetical protein 0.0035 0.0189 0.0678
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0399 0.498 0.498
Loa Loa (eye worm) hypothetical protein 0.0022 0.0023 0.0023
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0054 0.0442 0.1097
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0069 0.0246
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.1332 0.3308
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.1308 0.1308
Brugia malayi Fli-1 protein 0.0232 0.2789 0.2789
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.01 0.1054 0.1054
Leishmania major C-8 sterol isomerase-like protein 0.078 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0069 0.0069
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0122 0.1334 0.4784
Onchocerca volvulus 0.0027 0.0089 0.0499
Onchocerca volvulus Protein ultraspiracle homolog 0.0026 0.0069 0.0346
Onchocerca volvulus 0.0048 0.036 0.2572
Leishmania major hypothetical protein, conserved 0.0051 0.0403 0.0403
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0403 0.2953
Schistosoma mansoni steroid hormone receptor ad4bp 0.0026 0.0069 0.0246
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0122 0.1334 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0026 0.0069 0.0246
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.1308 0.3247
Loa Loa (eye worm) fli-1 protein 0.0232 0.2789 0.2789
Echinococcus granulosus excitatory amino acid transporter 3 0.0122 0.1334 0.3313
Loa Loa (eye worm) hypothetical protein 0.005 0.0395 0.0395
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.01 0.1054 0.3777
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.01 0.1054 0.3777
Loa Loa (eye worm) TK/ROR protein kinase 0.0022 0.0023 0.0023
Brugia malayi steroid hormone receptor 0.0026 0.0069 0.0069
Echinococcus multilocularis pikachurin 0.005 0.0395 0.098
Echinococcus multilocularis neurogenic locus notch protein 0.005 0.0395 0.098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0026 0.0069 0.0069
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0069 0.017
Onchocerca volvulus 0.0027 0.0089 0.0499
Echinococcus multilocularis FTZ F1 alpha 0.0026 0.0069 0.017
Schistosoma mansoni coup transcription factor 0.0026 0.0069 0.0246
Brugia malayi photoreceptor-specific nuclear receptor 0.0026 0.0069 0.0069
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.01 0.1054 0.2615
Echinococcus granulosus neutral amino acid transporter A 0.0122 0.1334 0.3313
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0063 0.0566 0.2029
Loa Loa (eye worm) hypothetical protein 0.0058 0.0495 0.0495
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.0739 0.1834
Echinococcus multilocularis lamin 0.0027 0.0089 0.022
Echinococcus multilocularis excitatory amino acid transporter 2 0.0122 0.1334 0.3313
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1308 0.4689
Schistosoma mansoni ets-related 0.0232 0.2789 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0082
Echinococcus granulosus excitatory amino acid transporter 2 0.0122 0.1334 0.3313
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0403 1
Loa Loa (eye worm) hypothetical protein 0.078 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.1308 0.9802
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0065 0.0593 0.0593
Loa Loa (eye worm) hypothetical protein 0.005 0.0395 0.0395
Echinococcus multilocularis neutral amino acid transporter A 0.0122 0.1334 0.3313
Schistosoma mansoni serine-rich repeat protein 0.0068 0.0623 0.2233
Brugia malayi Steroid receptor seven-up type 2 0.0026 0.0069 0.0069
Brugia malayi EGF-like domain containing protein 0.005 0.0395 0.0395
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0189 0.0469
Loa Loa (eye worm) hypothetical protein 0.0051 0.0403 0.0403
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0122 0.1334 0.3313
Echinococcus multilocularis tumor protein p63 0.0326 0.4028 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0403 1
Echinococcus granulosus FTZ F1 alpha 0.0026 0.0069 0.017
Schistosoma mansoni thyroid hormone receptor 0.0147 0.167 0.5985
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0069 0.0069
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0403 1
Brugia malayi Protein kinase domain containing protein 0.0022 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0026 0.0069 0.0069
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1308 0.4689
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1308 1
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.1308 1
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0069 0.0069
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0069 0.017
Echinococcus granulosus voltage dependent calcium channel subunit 0.0131 0.1457 0.3617
Schistosoma mansoni slit 0.005 0.0395 0.1416
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0026 0.0069 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0026 0.0069 0.0069
Echinococcus multilocularis Excitatory amino acid transporter 0.0122 0.1334 0.3313
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.005 0.0395 0.0395
Echinococcus granulosus lamin 0.0027 0.0089 0.022
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.167 0.4144
Echinococcus granulosus neurogenic locus notch protein 0.005 0.0395 0.098
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0089 0.0089
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0189 0.0469
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0089 0.0318
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0026 0.0069 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0026 0.0069 0.0069
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.005 0.0395 0.1416
Loa Loa (eye worm) hypothetical protein 0.01 0.1054 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0026 0.0069 0.0069
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0054 0.0442 0.1097
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0026 0.0069 0.0346
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0026 0.0069 0.0246
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0026 0.0069 0.017
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0054 0.0442 0.1585
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0026 0.0069 0.0069
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0189 0.0678
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0069 0.0069
Schistosoma mansoni thyroid hormone receptor 0.0147 0.167 0.5985
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0026 0.0069 0.017
Echinococcus granulosus Excitatory amino acid transporter 0.0122 0.1334 0.3313
Brugia malayi Ets-domain containing protein 0.0077 0.0739 0.0739
Echinococcus multilocularis Excitatory amino acid transporter 0.0122 0.1334 0.3313
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.0739 0.1834
Schistosoma mansoni hypothetical protein 0.0068 0.0623 0.2233
Echinococcus granulosus Excitatory amino acid transporter 0.0122 0.1334 0.3313
Brugia malayi nuclear hormone receptor 0.0026 0.0069 0.0069
Echinococcus granulosus pikachurin 0.005 0.0395 0.098
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.0739 0.0739
Brugia malayi Cytochrome P450 family protein 0.0023 0.0031 0.0031
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0033 0.0081
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Echinococcus granulosus lamin dm0 0.0027 0.0089 0.022
Echinococcus granulosus excitatory amino acid transporter 2 0.0122 0.1334 0.3313
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0026 0.0069 0.017
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.01 0.1054 0.3777
Echinococcus granulosus ecdysone induced protein 78C 0.0026 0.0069 0.017
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0026 0.0069 0.017
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.1332 0.3308
Echinococcus multilocularis slit 2 protein 0.005 0.0395 0.098
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0026 0.0069 0.017
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0122 0.1334 0.3313
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0026 0.0069 0.017
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1308 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0403 0.0403
Echinococcus granulosus voltage dependent calcium channel subunit 0.0288 0.3526 0.8752
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0131 0.1457 0.3617
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1308 1
Brugia malayi nuclear receptor NHR-88 0.0026 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.005 0.0395 0.0395
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0054 0.0442 0.1585
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0069 0.017
Loa Loa (eye worm) steroid hormone receptor 0.0026 0.0069 0.0069
Brugia malayi Ets-domain containing protein 0.0077 0.0739 0.0739
Brugia malayi hypothetical protein 0.0033 0.0165 0.0165
Brugia malayi Kringle domain containing protein 0.0022 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0026 0.0069 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0026 0.0069 0.0069
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0122 0.1334 0.5
Schistosoma mansoni hypothetical protein 0.0023 0.0033 0.0117
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0069 0.017
Giardia lamblia DINP protein human, muc B family 0.002 0 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0403 0.0403
Schistosoma mansoni lamin 0.0027 0.0089 0.0318
Echinococcus multilocularis neutral amino acid transporter A 0.0122 0.1334 0.3313
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0069 0.0069
Schistosoma mansoni laminin gamma-3 chain 0.005 0.0395 0.1416
Brugia malayi Excitatory amino acid transporter 0.0122 0.1334 0.1334
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0026 0.0069 0.017
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0033 0.0081
Trypanosoma brucei C-8 sterol isomerase, putative 0.078 1 1
Leishmania major hypothetical protein, conserved 0.0022 0.0023 0.0023
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0026 0.0069 0.0246
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0122 0.1334 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0089 0.0089
Echinococcus granulosus intermediate filament protein 0.0027 0.0089 0.022
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0267 0.3245 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0089 0.0089
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0026 0.0069 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0026 0.0069 0.0069
Echinococcus multilocularis musashi 0.0027 0.0089 0.022
Brugia malayi Cache domain containing protein 0.0058 0.0495 0.0495
Echinococcus granulosus tumor protein p63 0.0326 0.4028 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0122 0.1334 0.3313
Echinococcus granulosus tissue type plasminogen activator 0.0022 0.0023 0.0058
Trypanosoma cruzi C-8 sterol isomerase, putative 0.078 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.036 0.1292
Loa Loa (eye worm) excitatory amino acid transporter 0.0122 0.1334 0.1334
Echinococcus multilocularis lamin dm0 0.0027 0.0089 0.022
Chlamydia trachomatis glutamate symporter 0.0122 0.1334 1
Loa Loa (eye worm) abnormal epIthelia family member 0.005 0.0395 0.0395
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0089 0.0089
Brugia malayi hypothetical protein 0.0035 0.0189 0.0189
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.1308 0.3247
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0069 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0026 0.0069 0.0069
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0026 0.0069 0.017
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.01 0.1054 0.2615
Brugia malayi intermediate filament protein 0.0027 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0022 0.0023 0.0084
Brugia malayi laminin alpha chain 0.005 0.0395 0.0395
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0126 0.1387 0.4971
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0026 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0069 0.0069
Echinococcus granulosus neutral amino acid transporter A 0.0122 0.1334 0.3313
Echinococcus granulosus slit 2 protein 0.005 0.0395 0.098
Loa Loa (eye worm) hypothetical protein 0.0048 0.036 0.036
Schistosoma mansoni gabp alpha 0.0077 0.0739 0.2649
Schistosoma mansoni cell polarity protein 0.005 0.0395 0.1416
Echinococcus granulosus sodium:dicarboxylate symporter 0.0122 0.1334 0.3313
Brugia malayi ecdysteroid receptor 0.0026 0.0069 0.0069
Schistosoma mansoni RAR-like nuclear receptor 0.0026 0.0069 0.0246
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0026 0.0069 0.0069
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0026 0.0069 0.017
Brugia malayi hypothetical protein 0.0051 0.0403 0.0403
Trypanosoma cruzi hypothetical protein, conserved 0.0022 0.0023 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0026 0.0069 0.0069
Echinococcus multilocularis ecdysone induced protein 78C 0.0026 0.0069 0.017
Echinococcus multilocularis excitatory amino acid transporter 2 0.0122 0.1334 0.3313
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0288 0.3526 0.8752
Echinococcus multilocularis excitatory amino acid transporter 3 0.0122 0.1334 0.3313
Schistosoma mansoni lamin 0.0027 0.0089 0.0318
Schistosoma mansoni hypothetical protein 0.0122 0.1332 0.4777

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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