Detailed information for compound 788202

Basic information

Technical information
  • TDR Targets ID: 788202
  • Name: 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothi eno[5,4-d]pyrimidin-3-yl)acetic acid
  • MW: 373.405 | Formula: C13H15N3O6S2
  • H donors: 1 H acceptors: 5 LogP: -0.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cn1cnc2c(c1=O)c(c(s2)C)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C13H15N3O6S2/c1-8-11(24(20,21)16-2-4-22-5-3-16)10-12(23-8)14-7-15(13(10)19)6-9(17)18/h7H,2-6H2,1H3,(H,17,18)
  • InChiKey: OYRJNZYMOSZBIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(6-methyl-5-morpholinosulfonyl-4-oxo-thieno[5,4-d]pyrimidin-3-yl)acetic acid
  • 2-(6-methyl-5-morpholinosulfonyl-4-oxo-3-thieno[5,4-d]pyrimidinyl)acetic acid
  • 2-(4-keto-6-methyl-5-morpholinosulfonyl-thieno[5,4-d]pyrimidin-3-yl)acetic acid
  • 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxo-thieno[5,4-d]pyrimidin-3-yl)ethanoic acid
  • EU-0020529

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 carbonic anhydrase II 0.0447 1 1
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.0842 0.1907
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2549 0.2549
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0137 0.2943 1
Echinococcus granulosus carbonic anhydrase 0.0225 0.4942 0.4942
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2549 0.2549
Plasmodium vivax aldehyde reductase, putative 0.004 0.072 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Echinococcus granulosus aldo keto reductase 0.0137 0.2943 0.2943
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0138 0.0437
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Echinococcus multilocularis voltage gated potassium channel subunit 0.004 0.072 0.072
Echinococcus multilocularis carbonic anhydrase 0.0225 0.4942 0.4942
Schistosoma mansoni potassium channel beta 0.004 0.072 0.072
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0384 0.1276
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0273 0.0297
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.2943 1
Echinococcus granulosus aldehyde reductase 0.0098 0.2037 0.2037
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Schistosoma mansoni carbonic anhydrase 0.0225 0.4942 0.4942
Brugia malayi glutamate-cysteine ligase modifier subunit 0.004 0.072 0.072
Echinococcus granulosus aldo keto reductase family 1, member B4 0.004 0.072 0.072
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.004 0.072 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase 0.0137 0.2943 0.2943
Echinococcus granulosus hypothetical protein 0.0137 0.2943 0.2943
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0346 0.0346
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0419 0.0656
Entamoeba histolytica aldose reductase, putative 0.0137 0.2943 1
Onchocerca volvulus 0.0137 0.2943 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0289 0.0356
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Trypanosoma cruzi aldo/keto reductase, putative 0.0137 0.2943 0.2395
Loa Loa (eye worm) hypothetical protein 0.0014 0.0133 0.0133
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0225 0.4942 0.4942
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0137 0.2943 0.2943
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0273 0.0297
Schistosoma mansoni aldo-keto reductase 0.0137 0.2943 0.2943
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0137 0.2943 0.2395
Loa Loa (eye worm) oxidoreductase 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase 0.0137 0.2943 0.2943
Trypanosoma brucei carbonic anhydrase-like protein 0.0447 1 1
Mycobacterium ulcerans hypothetical protein 0.004 0.072 0.1923
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0346 0.0346
Mycobacterium ulcerans oxidoreductase 0.0137 0.2943 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0384 0.1276
Mycobacterium ulcerans thioesterase 0.0021 0.0289 0.0356
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0366 0.1216
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0044 0.0118
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0225 0.4942 0.4942
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0366 0.1216
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0273 0.0297
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0384 0.0384
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.028 0.0922
Loa Loa (eye worm) oxidoreductase 0.0137 0.2943 0.2943
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0137 0.2943 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Brugia malayi NADH-dependent xylose reductase 0.004 0.072 0.072
Mycobacterium tuberculosis Conserved protein 0.004 0.072 0.2422
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0666 0.2237
Echinococcus multilocularis aldehyde reductase 0.0098 0.2037 0.2037
Echinococcus granulosus voltage gated potassium channel subunit 0.004 0.072 0.072
Echinococcus multilocularis carbonic anhydrase 0.0225 0.4942 0.4942
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0447 1 1
Echinococcus granulosus carbonic anhydrase 0.0225 0.4942 0.4942
Onchocerca volvulus 0.0137 0.2943 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0384 0.0702
Loa Loa (eye worm) hypothetical protein 0.0225 0.4942 0.4942
Loa Loa (eye worm) hypothetical protein 0.0042 0.0772 0.0772
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0225 0.4942 0.4942
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0419 0.1397
Mycobacterium ulcerans polyketide synthase 0.0025 0.0384 0.0702
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0225 0.4942 0.4942
Leishmania major prostaglandin f synthase, putative 0.0137 0.2943 0.2395
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0137 0.2943 0.2943
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0384 0.0702
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0225 0.4942 0.4942
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0419 0.1397
Entamoeba histolytica aldose reductase, putative 0.0137 0.2943 1
Giardia lamblia Aldose reductase 0.0137 0.2943 0.5
Loa Loa (eye worm) oxidoreductase 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0447 1 1
Toxoplasma gondii aldo-keto reductase 0.004 0.072 0.1277
Toxoplasma gondii hypothetical protein 0.0225 0.4942 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0384 0.1276
Schistosoma mansoni carbonic anhydrase-related 0.0225 0.4942 0.4942
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0225 0.4942 0.4942
Echinococcus multilocularis carbonic anhydrase II 0.0447 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0384 0.0702
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Schistosoma mansoni aldo-keto reductase 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase 0.0137 0.2943 0.2943
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0419 0.0831
Onchocerca volvulus 0.0137 0.2943 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0289 0.0952
Onchocerca volvulus 0.0137 0.2943 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.004 0.072 0.1277
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.004 0.072 0.1277
Onchocerca volvulus 0.0137 0.2943 1
Leishmania major aldo-keto reductase-like protein 0.0137 0.2943 0.2395
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0384 0.0702
Echinococcus granulosus aldo keto reductase 0.0137 0.2943 0.2943
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0346 0.1148
Loa Loa (eye worm) oxidoreductase 0.0137 0.2943 0.2943
Schistosoma mansoni pol-related 0.0137 0.2943 0.2943
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.0895 0.0895
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0289 0.0356
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Trypanosoma brucei aldo-keto reductase, putative 0.0137 0.2943 0.2395
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0666 0.2237
Onchocerca volvulus 0.004 0.072 0.1439
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0223 0.0728
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0666 0.1727
Onchocerca volvulus 0.0044 0.0806 0.1771
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0419 0.0831
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0419 0.0831
Plasmodium falciparum carbonic anhydrase 0.0225 0.4942 1
Trypanosoma brucei prostaglandin f synthase 0.0137 0.2943 0.2395
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0447 1 1
Onchocerca volvulus 0.0137 0.2943 1
Toxoplasma gondii aldose reductase, putative 0.0137 0.2943 0.587
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0447 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0447 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0137 0.2943 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0137 0.2943 0.2395
Trichomonas vaginalis aldo/keto reductase, putative 0.0137 0.2943 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0137 0.2943 0.2943
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Loa Loa (eye worm) oxidoreductase 0.0137 0.2943 0.2943
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0447 1 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0184 0.0169
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0137 0.2943 0.2943
Schistosoma mansoni carbonic anhydrase-related 0.0225 0.4942 0.4942
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Mycobacterium leprae Conserved hypothetical protein 0.0098 0.2037 0.6707
Mycobacterium ulcerans polyketide synthase 0.0027 0.0419 0.0831
Echinococcus multilocularis carbonic anhydrase 0.0225 0.4942 0.4942
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.004 0.072 0.072
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0419 0.1397
Entamoeba histolytica aldose reductase, putative 0.0137 0.2943 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Brugia malayi MH2 domain containing protein 0.012 0.2549 0.2549
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0376 0.0376
Schistosoma mansoni hypothetical protein 0.0225 0.4942 0.4942
Loa Loa (eye worm) hypothetical protein 0.0225 0.4942 0.4942
Loa Loa (eye worm) hypothetical protein 0.0225 0.4942 0.4942
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0384 0.0702
Trichomonas vaginalis aldo/keto reductase, putative 0.0137 0.2943 1
Trypanosoma cruzi aldo-keto reductase 0.0137 0.2943 0.2395
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0076 0.0076
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0666 0.1727
Trichomonas vaginalis aldo/keto reductase, putative 0.0137 0.2943 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0419 0.0831
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0137 0.2943 0.2943
Mycobacterium leprae Possible oxidoreductase 0.004 0.072 0.1923
Echinococcus granulosus carbonic anhydrase 0.0225 0.4942 0.4942
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.022 0.0243
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0137 0.2943 0.2943
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2943 1
Leishmania major carbonic anhydrase-like protein 0.0447 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0384 0.0702
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0137 0.2943 1
Echinococcus granulosus aldo keto reductase 0.0137 0.2943 0.2943
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0419 0.0831
Giardia lamblia Aldose reductase 0.0137 0.2943 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0225 0.4942 0.4942
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0447 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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