Detailed information for compound 1237007

Basic information

Technical information
  • TDR Targets ID: 1237007
  • Name: N-(2,2-dimethoxyethyl)-6-phenylthieno[3,2-e]p yrimidin-4-amine
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 1 H acceptors: 2 LogP: 3.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(CNc1ncnc2c1cc(s2)c1ccccc1)OC
  • InChi: 1S/C16H17N3O2S/c1-20-14(21-2)9-17-15-12-8-13(11-6-4-3-5-7-11)22-16(12)19-10-18-15/h3-8,10,14H,9H2,1-2H3,(H,17,18,19)
  • InChiKey: UYSFQOYKHDHVCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,2-dimethoxyethyl)-6-phenyl-thieno[3,2-e]pyrimidin-4-amine
  • N-(2,2-dimethoxyethyl)-6-phenyl-4-thieno[3,2-e]pyrimidinamine
  • 2,2-dimethoxyethyl-(6-phenylthieno[3,2-e]pyrimidin-4-yl)amine
  • ZINC05937712
  • T5351541

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2559 0.2559
Loa Loa (eye worm) RNA binding protein 0.0076 0.3823 0.3823
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3823 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.3823 0.3823
Loa Loa (eye worm) hypothetical protein 0.0019 0.0407 0.0407
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2559 0.2559
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2854 0.2854
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3823 1
Schistosoma mansoni hypothetical protein 0.0041 0.1721 0.4503
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0407 0.0407
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0407 0.0407
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2559 0.2559
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3823 1
Brugia malayi TAR-binding protein 0.0076 0.3823 0.3823
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2559 0.2559
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.1064
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0407 0.0407
Echinococcus granulosus GPCR family 2 0.0019 0.0407 0.0407
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0407 0.0407
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3823 0.3823
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.1064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0407 0.0407
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3823 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0407 0.0407
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1721 0.1721
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2559 0.2559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2559 0.6693
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2559 0.2559
Echinococcus multilocularis muscleblind protein 0.018 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3823 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2854 0.2854
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3823 0.3823
Echinococcus granulosus muscleblind protein 0.018 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3823 0.3823
Echinococcus multilocularis GPCR, family 2 0.0019 0.0407 0.0407
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.1064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2559 0.6693
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3823 0.3823
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2854 0.2854
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.1064
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1721 0.1721
Brugia malayi RNA binding protein 0.0076 0.3823 0.3823
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0407 0.0407
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2559 0.6693
Loa Loa (eye worm) hypothetical protein 0.006 0.2854 0.2854

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 5.6234 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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 (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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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