Detailed information for compound 1384268

Basic information

Technical information
  • TDR Targets ID: 1384268
  • Name: N-(pyridin-3-ylmethyl)thieno[3,2-e]pyrimidin- 4-amine
  • MW: 242.3 | Formula: C12H10N4S
  • H donors: 1 H acceptors: 3 LogP: 2.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cn1)CNc1ncnc2c1ccs2
  • InChi: 1S/C12H10N4S/c1-2-9(6-13-4-1)7-14-11-10-3-5-17-12(10)16-8-15-11/h1-6,8H,7H2,(H,14,15,16)
  • InChiKey: OQQMNOYZJPTICM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-pyridylmethyl)thieno[3,2-e]pyrimidin-4-amine
  • N-(3-pyridylmethyl)-4-thieno[3,2-e]pyrimidinamine
  • 3-pyridylmethyl-thieno[3,2-e]pyrimidin-4-yl-amine
  • T5279050
  • MLS000516197
  • SMR000342457
  • ZINC03412850

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723

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 kinesin family 1 0.0412 1 1
Onchocerca volvulus 0.0058 0.1033 0.2226
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0383 0.0564
Brugia malayi hypothetical protein 0.0286 0.6788 1
Schistosoma mansoni kinesin eg-5 0.0054 0.0915 0.0644
Entamoeba histolytica kinesin, putative 0.0054 0.0915 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0383 0.0564
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6788 0.666
Giardia lamblia Kinesin-5 0.0054 0.0915 0.5
Onchocerca volvulus Huntingtin homolog 0.0148 0.3304 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0383 0.0564
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0383 0.0564
Plasmodium falciparum kinesin-5 0.0054 0.0915 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.1033 0.0787
Onchocerca volvulus Huntingtin homolog 0.0148 0.3304 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0054 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.3304 0.4867
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1033 0.1522
Schistosoma mansoni hypothetical protein 0.0058 0.1033 0.0787
Brugia malayi hypothetical protein 0.0148 0.3304 0.4867
Brugia malayi intermediate filament protein 0.0033 0.0383 0.0564
Brugia malayi Kinesin motor domain containing protein 0.0054 0.0915 0.1348
Loa Loa (eye worm) kinesin-like protein KLP2 0.0054 0.0915 0.1348
Loa Loa (eye worm) hypothetical protein 0.0032 0.0368 0.0542
Plasmodium vivax kinesin-5 0.0054 0.0915 0.5
Schistosoma mansoni hypothetical protein 0.0359 0.8644 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.3304 0.4867
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6788 0.666
Loa Loa (eye worm) hypothetical protein 0.0286 0.6788 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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