Detailed information for compound 286563

Basic information

Technical information
  • TDR Targets ID: 286563
  • Name: N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrim idin-4-amine
  • MW: 289.783 | Formula: C14H12ClN3S
  • H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CCNc1ncnc2c1ccs2
  • InChi: 1S/C14H12ClN3S/c15-11-3-1-10(2-4-11)5-7-16-13-12-6-8-19-14(12)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18)
  • InChiKey: HBWGSCWAYXGITP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-4-thieno[2,3-d]pyrimidinamine
  • 2-(4-chlorophenyl)ethyl-thieno[2,3-d]pyrimidin-4-yl-amine
  • ZINC00116005
  • IDI1_013023
  • Oprea1_815192
  • Maybridge3_001636

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
Loa Loa (eye worm) neuropeptide F receptor 0.0017 0.8503 0.8503
Schistosoma mansoni lamin 0.0018 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0017 0.8503 0.8503
Brugia malayi neuropeptide F receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Dopamine receptor protein 2 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi sulfakinin receptor protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0017 0.8503 0.8503
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Cytochrome P450 family protein 0.0018 0.9354 0.9354
Brugia malayi Serotonin receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) neuropeptide F receptor 0.0017 0.8503 0.8503
Brugia malayi G protein-coupled receptor F59B2.13 0.0017 0.8503 0.8503
Brugia malayi Dopamine receptor 0.0017 0.8503 0.8503
Brugia malayi putative neuropeptide receptor NPR1 0.0017 0.8503 0.8503
Brugia malayi G protein-coupled receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi GnHR receptor homolog 0.0017 0.8503 0.8503
Brugia malayi ORL1-like opioid receptor 0.0017 0.8503 0.8503
Echinococcus granulosus intermediate filament protein 0.0018 1 1
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Dopamine receptor protein 1 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) G-protein coupled receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) TYRA-2 protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) G-protein coupled receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi G-protein coupled receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) melatonin receptor type 1A 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Onchocerca volvulus 0.0018 1 1
Loa Loa (eye worm) intermediate filament protein 0.0018 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0017 0.8503 0.8503
Brugia malayi RE15519p 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Tachykinin-like peptides receptor 99D 0.0017 0.8503 0.8503
Echinococcus granulosus lamin 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Echinococcus granulosus lamin dm0 0.0018 1 1
Brugia malayi G-protein coupled receptor 0.0017 0.8503 0.8503
Brugia malayi AKH receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Intermediate filament tail domain containing protein 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Echinococcus multilocularis lamin 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Echinococcus multilocularis musashi 0.0018 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0017 0.8503 0.8503
Brugia malayi follicle stimulating hormone receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Echinococcus multilocularis lamin dm0 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Schistosoma mansoni lamin 0.0018 1 1
Brugia malayi Serotonin receptor 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi neuropeptide F receptor 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Schistosoma mansoni intermediate filament proteins 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.9606 0.9606
Brugia malayi larval opioid receptor 0.0017 0.8503 0.8503
Brugia malayi putative neuropeptide receptor 0.0017 0.8503 0.8503
Brugia malayi hypothetical protein 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Brugia malayi Melatonin receptor type 1A 0.0017 0.8503 0.8503
Loa Loa (eye worm) hypothetical protein 0.0017 0.8503 0.8503
Onchocerca volvulus 0.0018 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.9354 0.9354

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.000000035 M Cytotoxicity against P388 cells is the dose of the compound giving 50% decrease in the formation of formazan dye ChEMBL. 10206538
IC50 (functional) = 0.000000035 M Cytotoxicity against P388 cells is the dose of the compound giving 50% decrease in the formation of formazan dye ChEMBL. 10206538
LD50 (functional) = 0.000073 M Dose of the compound giving a 50% decrease in the living cell number (P388 cells) ChEMBL. 10206538
LD50 (functional) = 0.000073 M Dose of the compound giving a 50% decrease in the living cell number (P388 cells) ChEMBL. 10206538

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 10206538

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

1 literature reference was collected for this gene.

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