Detailed information for compound 1558821

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.715 | Formula: C11H14ClN5
  • H donors: 3 H acceptors: 1 LogP: 2.11 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)c(N=C1NCCN1)n[nH]2.Cl
  • InChi: 1S/C11H13N5.ClH/c1-7-2-3-9-8(6-7)10(16-15-9)14-11-12-4-5-13-11;/h2-3,6H,4-5H2,1H3,(H3,12,13,14,15,16);1H
  • InChiKey: YZJRFMGVENOXDZ-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
Rattus norvegicus Nischarin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_133208 All targets in OG5_133208
Echinococcus granulosus nischarin Get druggable targets OG5_133208 All targets in OG5_133208
Onchocerca volvulus Nischarin homolog Get druggable targets OG5_133208 All targets in OG5_133208
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133208 All targets in OG5_133208
Echinococcus multilocularis nischarin Get druggable targets OG5_133208 All targets in OG5_133208

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 Calcitonin receptor-like protein seb-1 0.0053 0.108 0.108
Schistosoma mansoni hypothetical protein 0.0037 0.0579 0.0579
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0136 0.3514 1
Echinococcus granulosus nischarin 0.017 0.4526 0.4526
Loa Loa (eye worm) hypothetical protein 0.0037 0.0579 0.0579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.108 0.108
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0355 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0579 0.0579
Chlamydia trachomatis dihydrofolate reductase 0.0355 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.108 0.108
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0136 0.3514 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.4413 0.4413
Loa Loa (eye worm) dihydrofolate reductase 0.0355 1 1
Echinococcus multilocularis nischarin 0.017 0.4526 0.4526
Brugia malayi Dihydrofolate reductase 0.0355 1 1
Onchocerca volvulus Nischarin homolog 0.0166 0.4407 0.5
Echinococcus granulosus dihydrofolate reductase 0.0355 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0136 0.3514 1
Brugia malayi hypothetical protein 0.0166 0.4413 0.4413
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0136 0.3514 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.108 0.108
Echinococcus multilocularis dihydrofolate reductase 0.0355 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0355 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0355 1 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0136 0.3514 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0136 0.3514 1
Schistosoma mansoni dihydrofolate reductase 0.0355 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 21200 nM Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting ChEMBL. 21129985
Ki (binding) = 10200 nM Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting ChEMBL. 21129985

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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