Detailed information for compound 703667

Basic information

Technical information
  • TDR Targets ID: 703667
  • Name: ethyl 2-[[2-[[3-(3,5-dimethylphenyl)-4-oxo-6, 7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl ]acetyl]amino]acetate
  • MW: 433.544 | Formula: C20H23N3O4S2
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CNC(=O)CSc1nc2CCSc2c(=O)n1c1cc(C)cc(c1)C
  • InChi: 1S/C20H23N3O4S2/c1-4-27-17(25)10-21-16(24)11-29-20-22-15-5-6-28-18(15)19(26)23(20)14-8-12(2)7-13(3)9-14/h7-9H,4-6,10-11H2,1-3H3,(H,21,24)
  • InChiKey: VQTGKWZZOPTALZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-1-oxoethyl]amino]acetic acid ethyl ester
  • 2-[[2-[[3-(3,5-dimethylphenyl)-4-keto-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]acetic acid ethyl ester
  • ethyl 2-[2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoylamino]ethanoate

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
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0193 0.5746 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0162 0.4662 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0099 0.2452 0.2452
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0256 0.0256
Entamoeba histolytica CAAX prenyl protease family 0.0193 0.5746 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0193 0.5746 1
Echinococcus granulosus CAAX prenyl protease 2 0.0193 0.5746 0.5746
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.0365 0.0199
Echinococcus multilocularis snurportin 1 0.0314 1 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0193 0.5746 0.5746
Plasmodium vivax protease, putative 0.004 0.0365 0.0784
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0193 0.5746 0.5
Brugia malayi CAAX amino terminal protease family protein 0.0193 0.5746 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0106 0.27 1
Toxoplasma gondii hypothetical protein 0.004 0.0365 0.0784
Schistosoma mansoni hypothetical protein 0.0314 1 1
Onchocerca volvulus 0.0099 0.2452 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.4662 0.4662
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0099 0.2452 0.2452
Brugia malayi RNA, U transporter 1 0.0084 0.1906 0.3317
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0256 0.0256
Brugia malayi hypothetical protein 0.0037 0.0256 0.0446
Loa Loa (eye worm) hypothetical protein 0.0099 0.2452 0.2452
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0162 0.4662 0.4662
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0929 0.1311
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0193 0.5746 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0106 0.27 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0162 0.4662 0.4662
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0929 0.1992
Echinococcus multilocularis peptidase Clp (S14 family) 0.0106 0.27 0.27
Loa Loa (eye worm) hypothetical protein 0.0193 0.5746 0.5746
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0056 0.0929 0.1992
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0256 0.0256
Brugia malayi Trypsin family protein 0.0099 0.2452 0.4268
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0193 0.5746 0.5746
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0162 0.4662 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0162 0.4662 1
Plasmodium falciparum protease, putative 0.004 0.0365 0.0784
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.2452 0.2452
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0256 0.0256
Toxoplasma gondii hypothetical protein 0.0056 0.0929 0.1992
Echinococcus granulosus peptidase Clp S14 family 0.0106 0.27 0.27
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.0365 0.0199
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0106 0.27 0.4744
Echinococcus multilocularis CAAX prenyl protease 2 0.0193 0.5746 0.5746
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0162 0.4662 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0193 0.5746 0.5
Toxoplasma gondii CAAX amino terminal protease family protein 0.004 0.0365 0.0784
Toxoplasma gondii hypothetical protein 0.004 0.0365 0.0784
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0162 0.4662 1
Brugia malayi Probable ClpP-like protease 0.0162 0.4662 0.8115
Giardia lamblia Hypothetical protein 0.0193 0.5746 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0162 0.4662 0.4662

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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