Detailed information for compound 1782523

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 249.736 | Formula: C14H16ClNO
  • H donors: 1 H acceptors: 0 LogP: 3.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1ccc(cc1)CN.Cl
  • InChi: 1S/C14H15NO.ClH/c1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12;/h2-9H,10,15H2,1H3;1H
  • InChiKey: WEGRUTGWKGCNAY-UHFFFAOYSA-N  


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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 plexin 0.0062 0.4312 0.5216
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.0424
Loa Loa (eye worm) TK protein kinase 0.0066 0.4729 0.4667
Echinococcus granulosus tyrosine protein kinase Blk 0.0074 0.5394 0.5394
Brugia malayi Plexin repeat family protein 0.0106 0.8267 0.8247
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Brugia malayi protein-tyrosine kinase 0.0074 0.5394 0.534
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0016 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0044 0.2757 0.2672
Echinococcus granulosus tyrosine kinase 0.0074 0.5394 0.5394
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.6043 0.6043
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.3048 0.5
Onchocerca volvulus 0.0044 0.2757 0.3134
Schistosoma mansoni tyrosine kinase 0.0081 0.6043 0.731
Echinococcus multilocularis plexin a4 0.0125 1 1
Brugia malayi hypothetical protein 0.0044 0.2757 0.2672
Echinococcus granulosus semaphorin 5B 0.0044 0.2757 0.2757
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0023 0.089 0.1077
Loa Loa (eye worm) hypothetical protein 0.0044 0.2757 0.2672
Loa Loa (eye worm) hypothetical protein 0.0044 0.2757 0.2672
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Schistosoma mansoni hypothetical protein 0.0062 0.4312 0.5216
Echinococcus granulosus tyrosine protein kinase HCK 0.0066 0.4729 0.4729
Schistosoma mansoni growth factor receptor-bound protein 0.0015 0.0116 0.014
Entamoeba histolytica hypothetical protein 0.0019 0.0535 0.0653
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.0424
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Loa Loa (eye worm) hypothetical protein 0.0044 0.2757 0.2672
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Entamoeba histolytica protein kinase domain containing protein 0.0028 0.1309 0.2379
Entamoeba histolytica hypothetical protein 0.0019 0.0535 0.0653
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.6043 0.6043
Echinococcus granulosus tyrosine protein kinase shark 0.0016 0.0242 0.0242
Brugia malayi Probable exocyst complex component Sec5 0.0019 0.0535 0.0424
Echinococcus granulosus tyrosine protein kinase Lyn 0.0082 0.6084 0.6084
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.3048 0.2966
Loa Loa (eye worm) hypothetical protein 0.0106 0.8267 0.8247
Echinococcus granulosus plexin a4 0.0125 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Brugia malayi intracellular kinase 0.0048 0.3048 0.2966
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.0424
Schistosoma mansoni hypothetical protein 0.0019 0.0535 0.0647
Onchocerca volvulus 0.0048 0.3048 0.3496
Echinococcus granulosus semaphorin 1A 0.0044 0.2757 0.2757
Loa Loa (eye worm) plexin A 0.0125 1 1
Echinococcus multilocularis hypothetical protein 0.0044 0.2757 0.2757
Loa Loa (eye worm) hypothetical protein 0.0044 0.2757 0.2672
Echinococcus multilocularis tyrosine protein kinase Srms 0.0074 0.5394 0.5394
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.3048 0.3687
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.3048 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0015 0.0116 0.0116
Onchocerca volvulus 0.0106 0.8267 1
Giardia lamblia Kinase, CMGC GSK 0.0048 0.3048 0.5
Echinococcus multilocularis transcription factor collier 0.0019 0.0535 0.0535
Brugia malayi Protein kinase domain containing protein 0.0016 0.0242 0.0127
Schistosoma mansoni nck2/grb4 0.0015 0.0116 0.014
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.3048 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0074 0.5394 0.5394
Schistosoma mansoni hypothetical protein 0.0044 0.2757 0.3335
Schistosoma mansoni hypothetical protein 0.0044 0.2757 0.3335
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.6043 0.6043
Schistosoma mansoni hypothetical protein 0.0019 0.0535 0.0647
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.3048 0.2966
Entamoeba histolytica protein kinase, putative 0.0048 0.3048 0.6253
Loa Loa (eye worm) SRC-1 0.0081 0.6043 0.5997
Schistosoma mansoni fibrocystin l 0.0019 0.0535 0.0647
Echinococcus multilocularis NCK adaptor protein 0.0015 0.0116 0.0116
Echinococcus multilocularis growth factor receptor bound protein 2 0.0015 0.0116 0.0116
Schistosoma mansoni semaphorin 5-related 0.0044 0.2757 0.3335
Brugia malayi SH2 domain containing protein 0.0016 0.0242 0.0127
Echinococcus multilocularis c src tyrosine kinase 0.0023 0.089 0.089
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0081 0.6043 0.6043
Echinococcus granulosus tyrosine kinase 0.0016 0.0242 0.0242
Echinococcus multilocularis tyrosine protein kinase shark 0.0016 0.0242 0.0242
Echinococcus granulosus NCK adaptor protein 0.0015 0.0116 0.0116
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0081 0.6043 0.6043
Echinococcus granulosus tyrosine protein kinase Src64B 0.0081 0.6043 0.6043
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0081 0.6043 0.6043
Brugia malayi DNA-binding protein LAG-1 0.0019 0.0535 0.0424
Echinococcus granulosus tyrosine protein kinase Srms 0.0016 0.0242 0.0242
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0065 0.462 0.462
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0081 0.6043 0.6043
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.3048 0.3048
Entamoeba histolytica protein kinase, putative 0.0066 0.4729 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.2757 0.2672
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0015 0.0116 0.014
Echinococcus multilocularis tyrosine kinase 0.0016 0.0242 0.0242
Brugia malayi Protein kinase domain containing protein 0.0016 0.0242 0.0127
Schistosoma mansoni plexin 0.0106 0.8267 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0016 0.0242 0.0242
Echinococcus granulosus tyrosine protein kinase Src42A 0.0081 0.6043 0.6043
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.3048 0.6253
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0225 0.0272
Brugia malayi SRC-1 0.0081 0.6043 0.5997
Brugia malayi hypothetical protein 0.0044 0.2757 0.2672
Entamoeba histolytica tyrosin kinase, putative 0.0028 0.1309 0.2379
Brugia malayi SH2 domain containing protein 0.0016 0.0242 0.0127
Brugia malayi IPT/TIG domain containing protein 0.0019 0.0535 0.0424
Echinococcus multilocularis protein kinase shaggy 0.0048 0.3048 0.3048
Echinococcus granulosus transcription factor collier 0.0019 0.0535 0.0535
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.3048 0.3048
Schistosoma mansoni adapter molecule crk 0.0015 0.0116 0.014
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.3048 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0081 0.6043 0.6043
Trypanosoma brucei protein kinase, putative 0.0048 0.3048 0.5
Echinococcus multilocularis tyrosine protein kinase HCK 0.0066 0.4729 0.4729
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0016 0.0242 0.0242
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.3048 0.5
Schistosoma mansoni tyrosine kinase 0.0016 0.0242 0.0292
Schistosoma mansoni tyrosine kinase 0.0081 0.6043 0.731
Brugia malayi Protein kinase domain containing protein 0.0016 0.0242 0.0127
Loa Loa (eye worm) hypothetical protein 0.0062 0.4312 0.4246
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.6043 0.6043
Brugia malayi Sema domain containing protein 0.0044 0.2757 0.2672
Schistosoma mansoni tyrosine kinase 0.0016 0.0242 0.0292
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0081 0.6043 0.6043
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.3048 0.6253
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Giardia lamblia Kinase, CMGC GSK 0.0048 0.3048 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0065 0.462 0.462
Loa Loa (eye worm) sema domain-containing protein 0.0044 0.2757 0.2672
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0081 0.6043 0.6043
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0074 0.5394 0.5394
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0.3048 0.5
Entamoeba histolytica cell surface protease gp63, putative 0.0019 0.0535 0.0653
Echinococcus multilocularis semaphorin 5B 0.0044 0.2757 0.2757
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0081 0.6043 0.6043
Brugia malayi Protein kinase domain containing protein 0.0016 0.0242 0.0127
Echinococcus multilocularis tyrosine protein kinase Blk 0.0074 0.5394 0.5394
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0023 0.089 0.089
Echinococcus multilocularis tyrosine protein kinase Abl 0.0023 0.089 0.089
Brugia malayi Protein kinase domain containing protein 0.0016 0.0242 0.0127
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.6043 0.6043
Schistosoma mansoni tyrosine kinase 0.0023 0.089 0.1077
Echinococcus granulosus c src tyrosine kinase 0.0023 0.089 0.089
Loa Loa (eye worm) sema domain-containing protein 0.0044 0.2757 0.2672
Entamoeba histolytica hypothetical protein 0.0019 0.0535 0.0653
Brugia malayi Tyrosine-protein kinase abl-1 0.0023 0.089 0.0784
Echinococcus granulosus tyrosine protein kinase Fyn 0.0081 0.6043 0.6043
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Loa Loa (eye worm) TK/FER protein kinase 0.0016 0.0242 0.0127
Entamoeba histolytica hypothetical protein 0.0019 0.0535 0.0653
Loa Loa (eye worm) TK/ABL protein kinase 0.0016 0.0242 0.0127
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.0424
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0023 0.089 0.089
Echinococcus granulosus tyrosine protein kinase ABL1 0.0016 0.0242 0.0242
Echinococcus multilocularis exocyst complex component 2 0.0019 0.0535 0.0535
Loa Loa (eye worm) hypothetical protein 0.0016 0.0242 0.0127
Echinococcus granulosus protein kinase shaggy 0.0048 0.3048 0.3048
Brugia malayi hypothetical protein 0.0016 0.0242 0.0127
Echinococcus granulosus exocyst complex component 2 0.0019 0.0535 0.0535
Loa Loa (eye worm) TK protein kinase 0.0074 0.5394 0.534
Brugia malayi Sema domain containing protein 0.0044 0.2757 0.2672
Schistosoma mansoni growth factor receptor-bound protein 0.0015 0.0116 0.014
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0.3048 0.5
Schistosoma mansoni tyrosine kinase 0.0023 0.089 0.1077

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 100 mg kg-1 Anticonvulsant activity against ip dosed albino CF1 mouse after 0.5 to 4 hrs by subcutaneous pentylenetetrazol test ChEMBL. 23772678

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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