Detailed information for compound 1802672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.588 | Formula: C15H8Cl3NO3
  • H donors: 0 H acceptors: 1 LogP: 4.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)OCc1oc(=O)c2c(n1)cc(cc2)Cl
  • InChi: 1S/C15H8Cl3NO3/c16-8-2-4-13(11(18)5-8)21-7-14-19-12-6-9(17)1-3-10(12)15(20)22-14/h1-6H,7H2
  • InChiKey: SXSRWSGICKZYNW-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
Schistosoma mansoni tyrosine kinase 0.0196 0.2615 0.2615
Echinococcus granulosus tyrosine protein kinase Fyn 0.0196 0.2615 0.2615
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0674 1 1
Mycobacterium ulcerans hypothetical protein 0.0674 1 1
Onchocerca volvulus 0.0026 0 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0026 0 0.5
Onchocerca volvulus Ceramide kinase 1 homolog 0.0026 0 0.5
Echinococcus granulosus NCK adaptor protein 0.0039 0.0191 0.0191
Schistosoma mansoni tyrosine kinase 0.0196 0.2615 0.2615
Brugia malayi Variant SH3 domain containing protein 0.0039 0.0191 0.0731
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0026 0 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0196 0.2615 0.2615
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0044 0.0276 0.0276
Trypanosoma cruzi diacylglycerol kinase, putative 0.0026 0 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.0176 0.2321 0.2321
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0026 0 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0176 0.2321 0.2321
Echinococcus granulosus growth factor receptor bound protein 2 0.0039 0.0191 0.0191
Brugia malayi protein-tyrosine kinase 0.0176 0.2321 0.8874
Echinococcus multilocularis tyrosine protein kinase Srms 0.0176 0.2321 0.2321
Echinococcus granulosus tyrosine protein kinase HCK 0.0157 0.2019 0.2019
Brugia malayi Tyrosine-protein kinase abl-1 0.0044 0.0276 0.1055
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0176 0.2321 0.2321
Loa Loa (eye worm) TK protein kinase 0.0176 0.2321 0.2321
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0044 0.0276 0.0276
Echinococcus granulosus tyrosine protein kinase Src64B 0.0196 0.2615 0.2615
Trichomonas vaginalis diacylglycerol kinase, putative 0.0026 0 0.5
Trichomonas vaginalis bmru protein, putative 0.0026 0 0.5
Brugia malayi Variant SH3 domain containing protein 0.0039 0.0191 0.0731
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0196 0.2615 0.2615
Trichomonas vaginalis conserved hypothetical protein 0.0026 0 0.5
Leishmania major hypothetical protein, conserved 0.0026 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0196 0.2615 0.2615
Entamoeba histolytica protein kinase, putative 0.0157 0.2019 0.2019
Trypanosoma cruzi Sphingosine kinase 0.0026 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0674 1 1
Leishmania major hypothetical protein, conserved 0.0026 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0026 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0196 0.2615 0.2615
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0196 0.2615 0.2615
Brugia malayi SRC-1 0.0196 0.2615 1
Schistosoma mansoni tyrosine kinase 0.0044 0.0276 0.0276
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0196 0.2615 0.2615
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0196 0.2615 0.2615
Leishmania major sphingosine kinase A, B, putative 0.0026 0 0.5
Leishmania major diacylglycerol kinase, putative 0.0026 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0196 0.2615 0.2615
Schistosoma mansoni sphingoid long chain base kinase 0.0674 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.0039 0.0191 0.0191
Trichomonas vaginalis sphingosine kinase, putative 0.0026 0 0.5
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0026 0 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0196 0.2615 0.2615
Echinococcus granulosus c src tyrosine kinase 0.0044 0.0276 0.0276
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0196 0.2615 0.2615
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0196 0.2615 0.2615
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0044 0.0276 0.0276
Trichomonas vaginalis diacylglycerol kinase, putative 0.0026 0 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0171 0.2236 0.2236
Plasmodium vivax diacylglycerol kinase, putative 0.0026 0 0.5
Schistosoma mansoni tyrosine kinase 0.0044 0.0276 0.0276
Trypanosoma brucei hypothetical protein, conserved 0.0026 0 0.5
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0026 0 0.5
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0026 0 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0039 0.0191 0.0731
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0039 0.0191 0.0191
Echinococcus multilocularis tyrosine protein kinase HCK 0.0157 0.2019 0.2019
Echinococcus granulosus tyrosine kinase 0.0176 0.2321 0.2321
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0196 0.2615 0.2615
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0026 0 0.5
Loa Loa (eye worm) TK protein kinase 0.0157 0.2019 0.2019
Echinococcus granulosus tyrosine protein kinase Blk 0.0176 0.2321 0.2321
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0026 0 0.5
Trichomonas vaginalis bmru protein, putative 0.0026 0 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0196 0.2615 0.2615
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0026 0 0.5
Trypanosoma brucei Sphingosine kinase 0.0026 0 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0026 0 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0039 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0039 0.0191 0.0191
Schistosoma mansoni nck2/grb4 0.0039 0.0191 0.0191
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0039 0.0191 0.0191
Loa Loa (eye worm) SRC-1 0.0196 0.2615 0.2615
Leishmania major diacylglycerol kinase-like protein 0.0026 0 0.5
Schistosoma mansoni sphingosine kinase A B 0.0674 1 1
Schistosoma mansoni adapter molecule crk 0.0039 0.0191 0.0191
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0196 0.2615 0.2615
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0026 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0026 0 0.5
Trypanosoma brucei diacylglycerol kinase, putative 0.0026 0 0.5
Echinococcus multilocularis sphingosine kinase 1 0.0674 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0196 0.2615 0.2615
Echinococcus multilocularis tyrosine protein kinase Abl 0.0044 0.0276 0.0276
Echinococcus multilocularis NCK adaptor protein 0.0039 0.0191 0.0191
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0171 0.2236 0.2236
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0039 0.0191 0.0191
Trypanosoma cruzi diacylglycerol kinase, putative 0.0026 0 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0039 0.0191 0.0191
Trichomonas vaginalis sphingosine kinase, putative 0.0026 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0026 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0674 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0044 0.0276 0.0276

Activities

No activities found for this compound.

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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