Detailed information for compound 439594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 212.036 | Formula: C8H3Cl2N3
  • H donors: 1 H acceptors: 2 LogP: 2.41 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1[nH]c(c(c1)Cl)Cl)C#N
  • InChi: 1S/C8H3Cl2N3/c9-7-2-6(13-8(7)10)1-5(3-11)4-12/h1-2,13H
  • InChiKey: ZXWTVKBJLHVTGB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium falciparum cysteine repeat modular protein 1 0.0818 1 0.5
Onchocerca volvulus Arrow homolog 0.0577 0.5415 0.5415
Toxoplasma gondii PAN domain-containing protein 0.0669 0.7157 0.3801
Loa Loa (eye worm) hypothetical protein 0.0577 0.5415 0.0812
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0577 0.5415 0.0812
Brugia malayi Kringle domain containing protein 0.0818 1 1
Toxoplasma gondii kringle domain-containing protein 0.0818 1 1
Loa Loa (eye worm) hypothetical protein 0.0577 0.5415 0.0812
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0818 1 0.5
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0577 0.5415 0.0812
Trypanosoma cruzi hypothetical protein, conserved 0.0818 1 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0818 1 1
Toxoplasma gondii PAN domain-containing protein 0.0669 0.7157 0.3801
Loa Loa (eye worm) hypothetical protein 0.0577 0.5415 0.0812
Onchocerca volvulus 0.0556 0.5009 0.5009
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0577 0.5415 0.0812
Loa Loa (eye worm) hypothetical protein 0.0818 1 1
Echinococcus granulosus tissue type plasminogen activator 0.0818 1 1
Loa Loa (eye worm) hypothetical protein 0.0577 0.5415 0.0812
Onchocerca volvulus 0.0818 1 1
Brugia malayi Fibulin-1 precursor 0.0577 0.5415 0.0812
Brugia malayi Calcium binding EGF domain containing protein 0.0577 0.5415 0.0812
Schistosoma mansoni hypothetical protein 0.0818 1 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0577 0.5415 0.0812
Leishmania major hypothetical protein, conserved 0.0818 1 0.5
Schistosoma mansoni egf-like domain protein 0.0577 0.5415 0.0812
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0577 0.5415 0.0812
Echinococcus multilocularis tissue type plasminogen activator 0.0818 1 1
Loa Loa (eye worm) hypothetical protein 0.0589 0.5646 0.1275

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Parasiticide activity against Saccharomyces cerevisiae ChEMBL. 17150358
Activity (functional) 0 Parasiticidal activity against Ctenocephalides felis ChEMBL. 17150358
Activity (functional) 0 Parasiticide activity against Saccharomyces cerevisiae ChEMBL. 17150358
LD99 (functional) = 1.7 uM Parasiticidal activity against Bacillus subtilis ChEMBL. 17150358
LD99 (functional) = 1.8 uM Parasiticidal activity against Haemonchus contortus McMaster ChEMBL. 17150358
LD99 (functional) = 2.2 uM Parasiticidal activity against levamisole-resistant Haemonchus contortus Lawes ChEMBL. 17150358
LD99 (functional) = 2.2 uM Parasiticidal activity against benzimidazole-resistant Haemonchus contortus Lawes ChEMBL. 17150358
LD99 (functional) = 2.2 uM Parasiticidal activity against avermectin-resistant Haemonchus contortus CAVR ChEMBL. 17150358
LD99 (functional) = 2.2 uM Parasiticidal activity against Ostertagia circumcincta McMaster ChEMBL. 17150358
LD99 (functional) = 9 uM Parasiticidal activity against Trichostrongylus colubriformis ChEMBL. 17150358
LD99 (functional) = 13 uM Cytotoxicity against mouse NS1 cells ChEMBL. 17150358

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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