Detailed information for compound 1209308

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 238.071 | Formula: C7H9Cl2N3O2
  • H donors: 3 H acceptors: 4 LogP: 2.46 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(NC2CC2)c(c(n1)O)Cl.Cl
  • InChi: 1S/C7H8ClN3O2.ClH/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12;/h3H,1-2H2,(H3,9,10,11,12,13);1H
  • InChiKey: VVVWFEWNXBIOQI-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli thymidine phosphorylase Starlite/ChEMBL References
Homo sapiens thymidine phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus granulosus thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium ulcerans thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) Get druggable targets OG5_131632 All targets in OG5_131632

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 AKH receptor 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Brugia malayi GnHR receptor homolog 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) TYRA-2 protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi G-protein coupled receptor 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi Dopamine receptor protein 1 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) neuropeptide F receptor 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi Serotonin receptor 0.0135 0.0588 1
Brugia malayi Serotonin receptor 0.0135 0.0588 1
Loa Loa (eye worm) neuropeptide F receptor 0.0135 0.0588 1
Brugia malayi ORL1-like opioid receptor 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0135 0.0588 1
Brugia malayi putative neuropeptide receptor NPR1 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Schistosoma mansoni hypothetical protein 0.0182 0.0901 0.0764
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0135 0.0588 1
Mycobacterium ulcerans thymidine phosphorylase 0.1531 1 1
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi sulfakinin receptor protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0135 0.0588 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi Melatonin receptor type 1A 0.0135 0.0588 1
Brugia malayi G-protein coupled receptor 0.0135 0.0588 1
Echinococcus granulosus microtubule associated protein 2 0.0743 0.4686 0.4354
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0135 0.0588 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0135 0.0588 0.5
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0135 0.0588 0.5
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2589 0.5
Brugia malayi G protein-coupled receptor 0.0135 0.0588 1
Loa Loa (eye worm) G-protein coupled receptor 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0135 0.0588 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0135 0.0588 1
Brugia malayi larval opioid receptor 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi Dopamine receptor protein 2 0.0135 0.0588 1
Brugia malayi neuropeptide F receptor 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi follicle stimulating hormone receptor 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Echinococcus multilocularis geminin 0.0182 0.0901 0.0333
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Brugia malayi RE15519p 0.0135 0.0588 1
Echinococcus multilocularis microtubule associated protein 2 0.0743 0.4686 0.4354
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi putative neuropeptide receptor 0.0135 0.0588 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1531 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi Dopamine receptor 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Schistosoma mansoni hypothetical protein 0.0182 0.0901 0.0764
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Echinococcus multilocularis thymidine phosphorylase 0.1531 1 1
Onchocerca volvulus 0.0135 0.0588 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0743 0.4686 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Brugia malayi neuropeptide F receptor 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Onchocerca volvulus 0.0135 0.0588 0.5
Brugia malayi hypothetical protein 0.0135 0.0588 1
Echinococcus granulosus geminin 0.0182 0.0901 0.0333
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0588 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 uM Inhibition of human TP purified from placenta ChEMBL. 16337119
IC50 (binding) = 7 uM Inhibition of human TP expressed in V79 cells ChEMBL. 16337119
IC50 (binding) = 10.1 uM Inhibition of Escherichia coli TP ChEMBL. 16337119

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

1 literature reference was collected for this gene.

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