Detailed information for compound 1200565

Basic information

Technical information
  • TDR Targets ID: 1200565
  • Name: methyl 3-amino-5-methyl-4-oxothieno[5,4-d]pyr imidine-6-carboxylate
  • MW: 239.251 | Formula: C9H9N3O3S
  • H donors: 1 H acceptors: 2 LogP: 0.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1sc2c(c1C)c(=O)n(cn2)N
  • InChi: 1S/C9H9N3O3S/c1-4-5-7(11-3-12(10)8(5)13)16-6(4)9(14)15-2/h3H,10H2,1-2H3
  • InChiKey: WCCLAJTVNIHXKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 3-amino-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylate
  • 3-amino-5-methyl-4-oxo-6-thieno[5,4-d]pyrimidinecarboxylic acid methyl ester
  • 3-amino-4-keto-5-methyl-thieno[5,4-d]pyrimidine-6-carboxylic acid methyl ester
  • ZINC00126686
  • SMR000384382
  • AF-399/13278182
  • T0519-0116
  • MLS001006894

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
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 multilocularis serine protein kinase ATM 0.003 0.0106 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Echinococcus multilocularis sodium:glucose cotransporter 2 0.155 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0137 0.0084
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0106 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0053 0.4987
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1546 0.6222
Plasmodium vivax SET domain protein, putative 0.0036 0.0145 0.5
Echinococcus granulosus sodium:myo inositol cotransporter 0.155 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0106 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0053 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0145 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Schistosoma mansoni inositol transporter 0.155 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0053 0.0213
Echinococcus multilocularis solute carrier family 5 0.155 1 1
Echinococcus multilocularis sodium:myo inositol cotransporter 0.155 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Loa Loa (eye worm) hypothetical protein 0.0396 0.2485 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0585
Loa Loa (eye worm) hypothetical protein 0.0396 0.2485 1
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0396 0.2485 0.2445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0396 0.2485 0.2445
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0053 0.4987
Echinococcus granulosus solute carrier family 5 0.155 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0145 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0145 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Onchocerca volvulus 0.0396 0.2485 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0106 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Echinococcus multilocularis high affinity choline transporter 1 0.0396 0.2485 0.2445
Echinococcus granulosus high affinity choline transporter 1 0.0396 0.2485 0.2445
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0145 0.0093
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0079 0.4849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Brugia malayi GH02984p 0.0396 0.2485 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1546 0.614
Brugia malayi Sodium:solute symporter family protein 0.0396 0.2485 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0079 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Echinococcus granulosus serine protein kinase ATM 0.003 0.0106 0.0053
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0145 0.0093
Onchocerca volvulus 0.0286 0.1772 0.6953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Toxoplasma gondii FATC domain-containing protein 0.003 0.0106 0.0426
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1772 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0053 0.0213
Echinococcus granulosus sodium:glucose cotransporter 2 0.155 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0106 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Schistosoma mansoni inositol transporter 0.155 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0053 0.0052
Entamoeba histolytica hypothetical protein 0.003 0.0106 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0053 0.4987
Schistosoma mansoni sodium/solute symporter 0.0396 0.2485 0.2445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0145 0.0093
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0396 0.2485 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0053 0.0213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0145 0.0093
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0053 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0145 0.038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Schistosoma mansoni high-affinity choline transporter 0.0396 0.2485 0.2445
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0145 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0053 0.0298
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0053 0.4987
Giardia lamblia GTOR 0.0022 0.0053 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0106 0.0598

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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