Detailed information for compound 1412722

Basic information

Technical information
  • TDR Targets ID: 1412722
  • Name: 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)ox y-N-(oxolan-2-ylmethyl)acetamide
  • MW: 321.395 | Formula: C15H19N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ncnc2c1c(C)c(s2)C)NCC1CCCO1
  • InChi: 1S/C15H19N3O3S/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19)
  • InChiKey: VWUBSQPVKLQNKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)oxy-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[(5,6-dimethyl-4-thieno[3,2-e]pyrimidinyl)oxy]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)oxy-N-(tetrahydrofurfuryl)acetamide
  • 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)ethanamide
  • T5247848
  • MLS000058342
  • SMR000063548

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cell death protein 3 precursor 0.0215 0.1696 0.3062
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trypanosoma brucei metacaspase MCA3 0.0579 0.6587 1
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1131 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1131 0.5
Toxoplasma gondii PAN domain-containing protein 0.0326 0.3187 0.3769
Echinococcus granulosus caspase 2 0.0215 0.1696 0.0637
Schistosoma mansoni caspase-7 (C14 family) 0.0215 0.1696 0.1362
Plasmodium vivax metacaspase 1, putative 0.0579 0.6587 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0173 0.1131 0.174
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Loa Loa (eye worm) hypothetical protein 0.0173 0.1131 0.174
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Toxoplasma gondii PAN domain-containing protein 0.0326 0.3187 0.3769
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0579 0.6587 1
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1131 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0436 0.4662 1
Trypanosoma cruzi metacaspase, putative 0.0579 0.6587 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0173 0.1136 0.5
Trypanosoma brucei oligopeptidase b 0.0173 0.1136 0.001
Schistosoma mansoni caspase-3 (C14 family) 0.0173 0.1131 0.0774
Onchocerca volvulus Prolyl endopeptidase homolog 0.0436 0.4662 1
Onchocerca volvulus 0.0118 0.0387 0.083
Trypanosoma brucei prolyl oligopeptidase, putative 0.0173 0.1136 0.001
Loa Loa (eye worm) hypothetical protein 0.0436 0.4662 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0173 0.1136 0.5
Trypanosoma brucei prolyl endopeptidase 0.0436 0.4662 0.6471
Echinococcus multilocularis prolyl endopeptidase 0.0436 0.4662 0.3981
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0173 0.1131 0.0774
Echinococcus granulosus prolyl endopeptidase 0.0436 0.4662 0.3981
Plasmodium falciparum metacaspase 1 0.0579 0.6587 1
Trypanosoma cruzi metacaspase 5, putative 0.0579 0.6587 1
Trypanosoma cruzi metacaspase, putative 0.0579 0.6587 1
Trypanosoma cruzi metacaspase, putative 0.0579 0.6587 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1131 0.5
Trypanosoma brucei metacaspase 5, putative 0.0579 0.6587 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1131 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0173 0.1131 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0436 0.4662 0.6468
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0173 0.1136 0.001
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0436 0.4662 0.4447
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0579 0.6587 1
Schistosoma mansoni caspase-7 (C14 family) 0.0173 0.1131 0.0774
Trypanosoma brucei metacaspase MCA2 0.0579 0.6587 1
Loa Loa (eye worm) hypothetical protein 0.0215 0.1696 0.3062
Toxoplasma gondii prolyl endopeptidase 0.0436 0.4662 0.6471
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.039 0.4048 1
Echinococcus multilocularis caspase 2 0.0215 0.1696 0.0637
Leishmania major metacaspase, putative 0.0579 0.6587 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus Cell death protein 3 homolog 0.0215 0.1696 0.3638
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1131 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0436 0.4662 0.6468
Trypanosoma cruzi metacaspase, putative 0.0579 0.6587 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0436 0.4662 0.4447

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.1778 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) 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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