Detailed information for compound 2078384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.866 | Formula: C19H24ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 2.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O1CCN(CC1)c1nccc(c1)CNCc1ccc2c(c1)CCO2.Cl
  • InChi: 1S/C19H23N3O2.ClH/c1-2-18-17(4-8-24-18)11-15(1)13-20-14-16-3-5-21-19(12-16)22-6-9-23-10-7-22;/h1-3,5,11-12,20H,4,6-10,13-14H2;1H
  • InChiKey: PBTKYELLJNLMRP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 multilocularis S adenosylmethionine decarboxylase proenzyme 0.0092 0.1156 0.3841
Schistosoma mansoni hypothetical protein 0.0188 0.3009 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0132 0.0437
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0092 0.1156 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0069 0.0714 0.2372
Brugia malayi Pre-SET motif family protein 0.0483 0.871 1
Echinococcus granulosus geminin 0.0188 0.3009 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0132 0.0437
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0037 0.0089 0.0295
Brugia malayi NNMT/PNMT/TEMT family protein 0.0334 0.5836 0.6701
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0037 0.0089 0.3667
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0069 0.0714 0.2372
Leishmania major S-adenosylmethionine decarboxylase 0.0092 0.1156 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0714 0.2372
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0483 0.871 1
Brugia malayi hypothetical protein 0.0058 0.0491 0.0564
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0069 0.0714 0.2372
Loa Loa (eye worm) hypothetical protein 0.0055 0.0447 0.0513
Loa Loa (eye worm) hypothetical protein 0.0334 0.5836 0.6701
Brugia malayi Pre-SET motif family protein 0.0069 0.0714 0.0819
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0037 0.0089 0.0295
Loa Loa (eye worm) hypothetical protein 0.0069 0.0714 0.0819
Schistosoma mansoni hypothetical protein 0.0188 0.3009 1
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0092 0.1156 1
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0092 0.1156 0.1327
Schistosoma mansoni hypothetical protein 0.0063 0.0585 0.1946
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0245 0.0814
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0069 0.0714 1
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0045 0.0242 0.3392
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0132 0.0151
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0092 0.1156 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0132 0.0437
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0334 0.5836 0.6701
Schistosoma mansoni jumonji domain containing protein 0.0084 0.1002 0.3329
Brugia malayi jmjC domain containing protein 0.0039 0.0132 0.0151
Brugia malayi jmjC domain containing protein 0.0106 0.1423 0.1633
Giardia lamblia PHD finger protein 15 0.0032 0 0.5
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0037 0.0089 0.0295
Echinococcus granulosus protein arginine methyltransferase 0.0037 0.0089 0.0295
Loa Loa (eye worm) hypothetical protein 0.0058 0.0491 0.0564
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0037 0.0089 0.0295
Loa Loa (eye worm) hypothetical protein 0.0334 0.5836 0.6701
Echinococcus multilocularis protein arginine methyltransferase 0.0037 0.0089 0.0295
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0666 0.0764
Trichomonas vaginalis set domain proteins, putative 0.055 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0132 0.0437
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0067 0.0665 0.2208
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0092 0.1156 1
Onchocerca volvulus 0.0069 0.0714 0.0714
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0092 0.1156 0.1327
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0058 0.0491 0.5
Echinococcus granulosus protein arginine N methyltransferase 8 0.0037 0.0089 0.0295
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0092 0.1156 1
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0245 0.0814
Echinococcus multilocularis geminin 0.0188 0.3009 1
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0092 0.1156 0.3841
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0045 0.0242 1
Entamoeba histolytica hypothetical protein 0.0058 0.0491 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0037 0.0089 0.1244
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0069 0.0714 0.2372
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.1423 0.4728
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0037 0.0089 0.1244
Plasmodium vivax SET domain protein, putative 0.0069 0.0714 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0714 0.2372
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.0714 0.2372
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.1423 0.4728

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.