Detailed information for compound 982791

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.143 | Formula: C15H8Cl2N2
  • H donors: 1 H acceptors: 1 LogP: 5.24 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc2c1c(Cl)c1c(n2)[nH]c2c1cccc2
  • InChi: 1S/C15H8Cl2N2/c16-9-5-3-7-11-13(9)14(17)12-8-4-1-2-6-10(8)18-15(12)19-11/h1-7H,(H,18,19)
  • InChiKey: BJJZJHWODHZNBO-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus tyrosine protein kinase Fyn 0.007 0.0141 0.02
Echinococcus multilocularis tyrosine protein kinase Abl 0.007 0.0141 0.02
Loa Loa (eye worm) dihydrofolate reductase 0.0633 0.2765 0.3922
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0061 0.0101 0.0143
Brugia malayi SRC-1 0.007 0.0141 0.02
Echinococcus granulosus tyrosine protein kinase Lyn 0.007 0.0141 0.02
Echinococcus multilocularis tyrosine protein kinase Fyn 0.007 0.0141 0.02
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2184 1 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.007 0.0141 0.02
Echinococcus multilocularis dihydrofolate reductase 0.0633 0.2765 0.3922
Echinococcus granulosus NCK adaptor protein 0.0061 0.0101 0.0143
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.007 0.0141 0.02
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0061 0.0101 0.0143
Schistosoma mansoni tyrosine kinase 0.007 0.0141 0.02
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0061 0.0101 0.0143
Echinococcus multilocularis c src tyrosine kinase 0.007 0.0141 0.02
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.007 0.0141 0.02
Schistosoma mansoni tyrosine kinase 0.007 0.0141 0.02
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2184 1 0.5
Onchocerca volvulus 0.1552 0.705 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.007 0.0141 0.02
Echinococcus multilocularis thymidylate synthase 0.1552 0.705 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.007 0.0141 0.02
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.007 0.0141 0.02
Schistosoma mansoni adapter molecule crk 0.0061 0.0101 0.0143
Echinococcus multilocularis growth factor receptor bound protein 2 0.0061 0.0101 0.0143
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.007 0.0141 0.02
Echinococcus granulosus tyrosine protein kinase Src42A 0.007 0.0141 0.02
Brugia malayi thymidylate synthase 0.1552 0.705 1
Schistosoma mansoni dihydrofolate reductase 0.0633 0.2765 0.3922
Echinococcus multilocularis tyrosine protein kinase Fyn 0.007 0.0141 0.02
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2184 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.007 0.0141 0.02
Chlamydia trachomatis dihydrofolate reductase 0.0633 0.2765 0.5
Schistosoma mansoni nck2/grb4 0.0061 0.0101 0.0143
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.007 0.0141 0.02
Echinococcus granulosus growth factor receptor bound protein 2 0.0061 0.0101 0.0143
Echinococcus multilocularis tyrosine protein kinase Fgr 0.007 0.0141 0.02
Schistosoma mansoni tyrosine kinase 0.007 0.0141 0.02
Echinococcus granulosus dihydrofolate reductase 0.0633 0.2765 0.3922
Echinococcus granulosus c src tyrosine kinase 0.007 0.0141 0.02
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1552 0.705 1
Mycobacterium tuberculosis Hypothetical protein 0.0738 0.3256 0.1148
Loa Loa (eye worm) hypothetical protein 0.0061 0.0101 0.0143
Echinococcus multilocularis tyrosine protein kinase Src64B 0.007 0.0141 0.02
Brugia malayi Sex muscle abnormal protein 5 0.0061 0.0101 0.0143
Entamoeba histolytica SH2-protein kinase domain containing protein 0.004 0 0.5
Echinococcus multilocularis NCK adaptor protein 0.0061 0.0101 0.0143
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1552 0.705 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2184 1 0.5
Brugia malayi Variant SH3 domain containing protein 0.0061 0.0101 0.0143
Brugia malayi Dihydrofolate reductase 0.0633 0.2765 0.3922
Brugia malayi Variant SH3 domain containing protein 0.0061 0.0101 0.0143
Loa Loa (eye worm) SRC-1 0.007 0.0141 0.02
Mycobacterium ulcerans thymidylate synthase 0.1552 0.705 1
Brugia malayi dihydrofolate reductase family protein 0.0633 0.2765 0.3922
Loa Loa (eye worm) thymidylate synthase 0.1552 0.705 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.007 0.0141 0.02
Schistosoma mansoni growth factor receptor-bound protein 0.0061 0.0101 0.0143
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2184 1 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1552 0.705 1
Echinococcus granulosus thymidylate synthase 0.1552 0.705 1
Brugia malayi Tyrosine-protein kinase abl-1 0.007 0.0141 0.02
Echinococcus granulosus tyrosine protein kinase Btk29A 0.007 0.0141 0.02
Echinococcus granulosus tyrosine protein kinase Src64B 0.007 0.0141 0.02
Schistosoma mansoni growth factor receptor-bound protein 0.0061 0.0101 0.0143
Schistosoma mansoni tyrosine kinase 0.007 0.0141 0.02
Brugia malayi hypothetical protein 0.0738 0.3256 0.4619
Trichomonas vaginalis conserved hypothetical protein 0.0738 0.3256 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.007 0.0141 0.02

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 64 uM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum Ghana in human erythrocytes after 72 hrs by Malstat assay ChEMBL. 19364118

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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