Detailed information for compound 1499471

Basic information

Technical information
  • TDR Targets ID: 1499471
  • Name: methyl 2-[6-methyl-5-(4-methylpiperidin-1-yl) sulfonyl-4-oxothieno[5,4-d]pyrimidin-3-yl]ace tate
  • MW: 399.485 | Formula: C16H21N3O5S2
  • H donors: 0 H acceptors: 4 LogP: 1.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1cnc2c(c1=O)c(c(s2)C)S(=O)(=O)N1CCC(CC1)C
  • InChi: 1S/C16H21N3O5S2/c1-10-4-6-19(7-5-10)26(22,23)14-11(2)25-15-13(14)16(21)18(9-17-15)8-12(20)24-3/h9-10H,4-8H2,1-3H3
  • InChiKey: YFDAKXZLNSAINL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[6-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-thieno[5,4-d]pyrimidin-3-yl]acetate
  • 2-[6-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-4-oxo-3-thieno[5,4-d]pyrimidinyl]acetic acid methyl ester
  • 2-[4-keto-6-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]thieno[5,4-d]pyrimidin-3-yl]acetic acid methyl ester
  • methyl 2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-thieno[5,4-d]pyrimidin-3-yl]ethanoate
  • SMR000021642
  • methyl [6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetate
  • IDI1_004336
  • MLS000878928
  • EU-0054111
  • ChemDiv2_005621
  • MLS000086133

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
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1351 0.3838 0.3838
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0133 0.0031 0.0031
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0133 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0213 0.0283 0.0283
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0133 0.0031 0.0031
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0417 0.0918 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0133 0.0031 0.0031
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0213 0.0283 0.0283
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0133 0.0031 0.0031
Brugia malayi Thrombospondin type 1 domain containing protein 0.0213 0.0283 0.0283
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0417 0.0918 0.2392
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0133 0.0031 0.0031
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1351 0.3838 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1351 0.3838 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0935 0.2537 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.0101 0.0101
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1351 0.3838 1
Trypanosoma cruzi hypothetical protein, conserved 0.0417 0.0918 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0133 0.0031 0.0031
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0133 0.0031 0.0031
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1351 0.3838 0.3838
Brugia malayi Protein-tyrosine phosphatase 0.0287 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0155 0.0101 0.0101
Onchocerca volvulus 0.0213 0.0283 0.0738
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0133 0.0031 0.0031
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1351 0.3838 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.0484 0.0484
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0133 0.0031 0.0031
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0133 0.0031 0.0031
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0133 0.0031 0.0031
Trypanosoma cruzi hypothetical protein, conserved 0.0417 0.0918 1
Onchocerca volvulus 0.1351 0.3838 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1351 0.3838 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0417 0.0918 0.2392
Loa Loa (eye worm) hypothetical protein 0.0155 0.0101 0.0101
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.3324 1 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0133 0.0031 0.0031
Onchocerca volvulus 0.0165 0.0132 0.0344
Loa Loa (eye worm) protein-tyrosine phosphatase 0.3324 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1351 0.3838 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0133 0.0031 0.0031
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1351 0.3838 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0133 0.0031 0.0031
Schistosoma mansoni protein tyrosine phosphatase 0.0133 0.0031 0.0031
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.3324 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1351 0.3838 1
Leishmania major hypothetical protein, conserved 0.0417 0.0918 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0133 0.0031 0.0031
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.3324 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1351 0.3838 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1351 0.3838 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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