Detailed information for compound 621749

Basic information

Technical information
  • TDR Targets ID: 621749
  • Name: ethyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3, 2-d]pyrimidin-2-yl)sulfanyl]propanoate
  • MW: 362.466 | Formula: C17H18N2O3S2
  • H donors: 0 H acceptors: 2 LogP: 3.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(Sc1nc2CCSc2c(=O)n1c1ccccc1)C
  • InChi: 1S/C17H18N2O3S2/c1-3-22-16(21)11(2)24-17-18-13-9-10-23-14(13)15(20)19(17)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
  • InChiKey: VBWRHTTXTWPFSX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]propanoic acid ethyl ester
  • 2-[(4-keto-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]propionic acid ethyl ester
  • EU-0088955

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
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.2345 0.8795
Mycobacterium tuberculosis Probable reductase 0.0089 0.2345 0.8795
Echinococcus multilocularis lamin 0.0107 0.2923 0.2923
Loa Loa (eye worm) hypothetical protein 0.0105 0.2859 0.3326
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.2345 0.8795
Leishmania major trypanothione reductase 0.0039 0.0727 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 0.7137 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.2345 0.8795
Trypanosoma brucei trypanothione reductase 0.0039 0.0727 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0052 0.1134 0.1134
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1007 0.0436
Echinococcus granulosus lamin 0.0107 0.2923 0.2923
Loa Loa (eye worm) intermediate filament protein 0.0107 0.2923 0.3425
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0744 0.0744
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.2666 1
Echinococcus multilocularis lamin dm0 0.0107 0.2923 0.2923
Plasmodium falciparum thioredoxin reductase 0.0039 0.0727 0.5
Onchocerca volvulus 0.0107 0.2923 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0727 0.2728
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0058 0.1317 0.092
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.2666 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.2345 0.8795
Toxoplasma gondii thioredoxin reductase 0.0039 0.0727 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.2923 0.3425
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1007 0.287
Treponema pallidum bacterioferrin (TpF1) 0.0017 0 0.5
Schistosoma mansoni lamin 0.0107 0.2923 0.8331
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.2345 0.8795
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0107 0.2923 0.3425
Loa Loa (eye worm) hypothetical protein 0.005 0.107 0.0535
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0727 0.5
Plasmodium falciparum glutathione reductase 0.0039 0.0727 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0107 0.2923 0.3425
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0727 0.5
Schistosoma mansoni intermediate filament proteins 0.0107 0.2923 0.8331
Echinococcus multilocularis musashi 0.0107 0.2923 0.2923
Brugia malayi cytoplasmic intermediate filament protein 0.0058 0.1317 0.092
Echinococcus granulosus intermediate filament protein 0.0107 0.2923 0.2923
Loa Loa (eye worm) hypothetical protein 0.005 0.107 0.0535
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0052 0.1134 0.1134
Onchocerca volvulus 0.0107 0.2923 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0744 0.0744
Plasmodium vivax glutathione reductase, putative 0.0039 0.0727 0.5
Trichomonas vaginalis ferritin, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1134 0.0634
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0089 0.2345 0.8795
Brugia malayi MH2 domain containing protein 0.0238 0.7137 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.2666 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0 0.5
Brugia malayi intermediate filament protein 0.0107 0.2923 0.3425
Loa Loa (eye worm) transcription factor SMAD2 0.0238 0.7137 1
Schistosoma mansoni lamin 0.0107 0.2923 0.8331
Echinococcus granulosus lamin dm0 0.0107 0.2923 0.2923
Echinococcus multilocularis tumor protein p63 0.0327 1 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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