Detailed information for compound 834983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.447 | Formula: C20H27N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.62 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CCNC(=O)NCc1cc(n(c1C)c1cccc(c1)C)C
  • InChi: 1S/C20H27N3O3/c1-5-26-19(24)9-10-21-20(25)22-13-17-12-15(3)23(16(17)4)18-8-6-7-14(2)11-18/h6-8,11-12H,5,9-10,13H2,1-4H3,(H2,21,22,25)
  • InChiKey: XJHVMDSLYUGBKG-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
Brugia malayi prolyl oligopeptidase family protein 0.006 0.0304 0.1067
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0055 0.0203 0.025
Brugia malayi Heterochromatin protein 1 0.0067 0.0463 0.1625
Toxoplasma gondii transporter, major facilitator family protein 0.0081 0.0755 0.1733
Echinococcus granulosus chromobox protein 1 0.0067 0.0463 0.0357
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0114 0.0003
Echinococcus granulosus agrin 0.0055 0.0203 0.0094
Onchocerca volvulus 0.0081 0.0755 0.2346
Echinococcus multilocularis expressed protein 0.0055 0.0203 0.0094
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0055 0.0203 0.025
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.006 0.0304 0.3003
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.006 0.0304 0.3003
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Brugia malayi MAP kinase sur-1 0.0051 0.011 0.0387
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0224 0.3831 1
Onchocerca volvulus Putative organic anion transporter 0.0081 0.0755 0.2346
Schistosoma mansoni organic anion transporter 0.0081 0.0755 0.0652
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0055 0.0203 0.0713
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0179 0.2848 0.2769
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0463 1
Onchocerca volvulus 0.0081 0.0755 0.2346
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0055 0.0203 0.025
Echinococcus multilocularis Dipeptidyl peptidase 9 0.006 0.0304 0.0196
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0081 0.0755 0.0652
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0179 0.2848 1
Schistosoma mansoni chromobox protein 0.0067 0.0463 0.0357
Echinococcus granulosus chromobox protein 1 0.0067 0.0463 0.0357
Brugia malayi MH2 domain containing protein 0.0116 0.1496 0.5252
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0114 0.0003
Trypanosoma cruzi MFS transporter, putative 0.0081 0.0755 1
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0114 0.0003
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0055 0.0203 0.0713
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0202 0.3344 0.327
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0266 0.0157
Onchocerca volvulus 0.0055 0.0203 0.0327
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0114 0.0003
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0055 0.0203 0.0713
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0463 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0179 0.2848 0.2769
Brugia malayi sodium-independent organic anion transporter family protein 0.0081 0.0755 0.2651
Onchocerca volvulus Putative organic anion transporter 0.0081 0.0755 0.2346
Brugia malayi mbt repeat family protein 0.0051 0.0114 0.0399
Brugia malayi hypothetical protein 0.0081 0.0755 0.2651
Loa Loa (eye worm) hypothetical protein 0.0055 0.0203 0.0713
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0266 0.0157
Loa Loa (eye worm) hypothetical protein 0.0055 0.0203 0.0713
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0114 0.0003
Loa Loa (eye worm) hypothetical protein 0.0055 0.0203 0.0713
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0266 0.0157
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.006 0.0304 0.0521
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.006 0.0304 1
Toxoplasma gondii protease inhibitor PI2 0.0055 0.0203 0.025
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0266 0.0932
Loa Loa (eye worm) prolyl oligopeptidase 0.0179 0.2848 1
Brugia malayi secreted modular calcium-binding protein 1 0.0055 0.0203 0.0713
Echinococcus granulosus Solute carrier organic anion transporter family 0.0081 0.0755 0.0652
Schistosoma mansoni follistatin 0.0055 0.0203 0.0094
Echinococcus granulosus Dipeptidyl peptidase 9 0.006 0.0304 0.0196
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Brugia malayi hypothetical protein 0.0081 0.0755 0.2651
Brugia malayi prostaglandin transporter 0.0081 0.0755 0.2651
Loa Loa (eye worm) hypothetical protein 0.0058 0.0266 0.0932
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.011 0.5
Onchocerca volvulus 0.0081 0.0755 0.2346
Echinococcus multilocularis neuropeptide receptor A26 0.0466 0.9004 0.8993
Schistosoma mansoni chromobox protein 0.0067 0.0463 0.0357
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0055 0.0203 0.0713
Loa Loa (eye worm) agrin synaptic family protein 0.0055 0.0203 0.0713
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0114 0.0399
Echinococcus multilocularis chromobox protein 1 0.0067 0.0463 0.0357
Schistosoma mansoni organic anion transporter 0.0081 0.0755 0.0652
Loa Loa (eye worm) hypothetical protein 0.0055 0.0203 0.0713
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0081 0.0755 0.0652
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1496 0.5252
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0266 0.0157
Brugia malayi sodium-independent organic anion transporter family protein 0.0081 0.0755 0.2651
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0055 0.0203 0.025
Echinococcus multilocularis follistatin 0.0055 0.0203 0.0094
Onchocerca volvulus 0.0081 0.0755 0.2346
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.006 0.0304 1
Brugia malayi prolyl oligopeptidase family protein 0.0179 0.2848 1
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0114 0.0003
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0081 0.0755 0.0652
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.006 0.0304 0.0196
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0266 0.0157
Echinococcus multilocularis agrin 0.0055 0.0203 0.0094
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0114 0.0003
Schistosoma mansoni agrin 0.0055 0.0203 0.0094
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1496 0.5252
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0202 0.3344 0.327
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.011 0.0387
Echinococcus multilocularis chromobox protein 1 0.0067 0.0463 0.0357
Loa Loa (eye worm) hypothetical protein 0.0051 0.0114 0.0399
Echinococcus granulosus follistatin 0.0055 0.0203 0.0094
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0081 0.0755 0.2651
Onchocerca volvulus 0.0081 0.0755 0.2346
Onchocerca volvulus Putative organic anion transporter 0.0081 0.0755 0.2346
Echinococcus granulosus neuropeptide receptor A26 0.0466 0.9004 0.8993
Schistosoma mansoni hypothetical protein 0.0512 1 1
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0055 0.0203 0.0713
Schistosoma mansoni hypothetical protein 0.0311 0.5693 0.5645
Echinococcus multilocularis neuropeptide s receptor 0.0466 0.9004 0.8993
Echinococcus multilocularis geminin 0.0512 1 1
Brugia malayi sodium-independent organic anion transporter family protein 0.0081 0.0755 0.2651
Echinococcus granulosus neuropeptide s receptor 0.0466 0.9004 0.8993
Loa Loa (eye worm) MBCTL1 0.0058 0.0266 0.0932
Schistosoma mansoni hypothetical protein 0.0512 1 1
Brugia malayi SPARC precursor 0.0055 0.0203 0.0713
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0463 0.1625
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Loa Loa (eye worm) hypothetical protein 0.0081 0.0755 0.2651
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.006 0.0304 1
Brugia malayi mbt repeat family protein 0.0051 0.0114 0.0399
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0179 0.2848 0.2769

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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