Detailed information for compound 2075536

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.259 | Formula: C17H20Cl2N2O2
  • H donors: 2 H acceptors: 1 LogP: 3.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)COc1ccc(cc1)CNC(c1ccc(cc1)Cl)C.Cl
  • InChi: 1S/C17H19ClN2O2.ClH/c1-12(14-4-6-15(18)7-5-14)20-10-13-2-8-16(9-3-13)22-11-17(19)21;/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H
  • InChiKey: PNIUPWUJSMUIBJ-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
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0448 0.2972 1
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.1823 0.4778
Schistosoma mansoni fatty-acid amide hydrolase 0.0172 0.0998 0.0998
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0111 0.056 0.056
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0172 0.0998 0.0998
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0275 0.0275
Brugia malayi TAR-binding protein 0.0062 0.0209 0.0209
Echinococcus granulosus tar DNA binding protein 0.0062 0.0209 0.0209
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562
Loa Loa (eye worm) nuclear hormone receptor 0.0105 0.0518 0.0518
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0512 0.0512
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562
Brugia malayi Steroid receptor seven-up type 2 0.0111 0.056 0.056
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.1823 0.4778
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0448 0.2972 1
Schistosoma mansoni fatty-acid amide hydrolase 0.1428 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0287 0.1823 0.1823
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1187 0.1892
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0209 0.0209
Schistosoma mansoni adenosylhomocysteinase 0.0277 0.1749 0.1749
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1428 1 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0209 0.0209
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0448 0.2972 1
Brugia malayi Amidase family protein 0.0172 0.0998 0.0998
Schistosoma mansoni adenosylhomocysteinase 0.0277 0.1749 0.1749
Brugia malayi Amidase family protein 0.0172 0.0998 0.0998
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.1823 0.4778
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1187 0.1892
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0209 0.0209
Leishmania major S-adenosylhomocysteine hydrolase 0.0448 0.2972 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0111 0.056 0.056
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0209 0.0209
Onchocerca volvulus Glucosylceramidase homolog 0.0188 0.1114 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.0522 0.0522
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0448 0.2972 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0448 0.2972 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0209 0.0209
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.1823 0.4778
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0448 0.2972 1
Loa Loa (eye worm) adenosylhomocysteinase 0.0448 0.2972 0.2972
Brugia malayi putative amidase 0.0172 0.0998 0.0998
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0448 0.2972 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0209 0.0209
Echinococcus granulosus fatty acid amide hydrolase 1 0.1428 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.1823 0.4778
Echinococcus granulosus adenosylhomocysteinase 0.0448 0.2972 0.2972
Schistosoma mansoni adenosylhomocysteinase 0.0448 0.2972 0.2972
Loa Loa (eye worm) hypothetical protein 0.1428 1 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0172 0.0998 0.0998
Echinococcus granulosus fatty acid amide hydrolase 1 0.1428 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0209 0.0209
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0172 0.0998 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0275 0.0275
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0172 0.0998 0.0998
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0172 0.0998 0.5
Toxoplasma gondii adenosylhomocysteinase, putative 0.0448 0.2972 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0209 0.0209
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0448 0.2972 1
Brugia malayi Adenosylhomocysteinase 0.0448 0.2972 0.2972
Schistosoma mansoni adenosylhomocysteinase 0.0277 0.1749 0.1749
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0172 0.0998 0.0998
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0512 0.0512
Loa Loa (eye worm) amidase 0.0172 0.0998 0.0998
Loa Loa (eye worm) hypothetical protein 0.0104 0.0512 0.0512
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0512 0.0512
Schistosoma mansoni hypothetical protein 0.0071 0.0275 0.0275
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0448 0.2972 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1428 1 1
Schistosoma mansoni amidase 0.1428 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0277 0.1749 0.1749
Echinococcus multilocularis adenosylhomocysteinase 0.0448 0.2972 0.2972
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0287 0.1823 0.1823
Entamoeba histolytica adenosylhomocysteinase, putative 0.0448 0.2972 0.5
Plasmodium falciparum adenosylhomocysteinase 0.0448 0.2972 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0209 0.0209
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0448 0.2972 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0172 0.0998 0.0998
Loa Loa (eye worm) amidase 0.0172 0.0998 0.0998
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0209 0.0209
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0172 0.0998 0.5
Brugia malayi RNA binding protein 0.0062 0.0209 0.0209
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.1823 0.4778
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.1114 0.1562

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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