Detailed information for compound 1479465

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.662 | Formula: C28H44N2O
  • H donors: 1 H acceptors: 1 LogP: 10.04 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCNc1c2CCCCc2nc2c1cc(OC)cc2
  • InChi: 1S/C28H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-29-28-24-17-14-15-18-26(24)30-27-20-19-23(31-2)22-25(27)28/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)
  • InChiKey: SSZMTSDRKKYOHE-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
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.036 0.4034 1
Echinococcus multilocularis ceramide glucosyltransferase 0.0289 0.3172 0.5157
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0249 0.0405
Brugia malayi Bromodomain containing protein 0.0039 0.0134 0.0134
Leishmania major histone deacetylase, putative 0.0471 0.539 0.8462
Echinococcus granulosus acetylcholinesterase 0.0164 0.1653 0.2688
Echinococcus granulosus histone deacetylase 0.0471 0.539 0.8762
Entamoeba histolytica histone deacetylase, putative 0.0534 0.6151 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0235 0.0382
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0249 0.0405
Loa Loa (eye worm) MBCTL1 0.0055 0.033 0.033
Trypanosoma brucei histone deacetylase 4 0.0471 0.539 0.8698
Leishmania major histone deacetylase, putative 0.0534 0.6151 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0396 0.0644
Loa Loa (eye worm) hypothetical protein 0.0053 0.0306 0.0306
Giardia lamblia Histone deacetylase 0.0534 0.6151 1
Loa Loa (eye worm) hypothetical protein 0.02 0.2093 0.2093
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0138 0.1346 0.2189
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.033 0.0537
Echinococcus multilocularis serotonin receptor 0.0272 0.2972 0.4832
Echinococcus granulosus prolyl endopeptidase 0.0278 0.3045 0.495
Trypanosoma brucei RNA helicase, putative 0.0301 0.332 0.5157
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0127 0.1202 1
Toxoplasma gondii prolyl endopeptidase 0.0278 0.3045 0.2826
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.033 0.033
Echinococcus multilocularis histone deacetylase 1 0.0534 0.6151 1
Loa Loa (eye worm) prolyl oligopeptidase 0.036 0.4034 0.4034
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.033 0.0537
Trypanosoma brucei histone deacetylase 2 0.0291 0.3201 0.4954
Schistosoma mansoni histone deacetylase 4 5 0.0471 0.539 0.8762
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0249 0.0249
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0249 0.0405
Brugia malayi MH2 domain containing protein 0.0116 0.1078 0.1078
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0127 0.1202 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.033 0.033
Brugia malayi Histone deacetylase 1 0.0534 0.6151 0.6151
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.036 0.4034 0.6559
Trypanosoma cruzi histone deacetylase 1, putative 0.0534 0.6151 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0127 0.1202 0.1533
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.1653 0.1653
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0249 0.0405
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.036 0.4034 0.6559
Brugia malayi Histone deacetylase family protein 0.0471 0.539 0.539
Toxoplasma gondii histone deacetylase HDAC5 0.0291 0.3201 0.2987
Brugia malayi prolyl oligopeptidase family protein 0.0053 0.0306 0.0306
Trypanosoma cruzi histone deacetylase, putative 0.0471 0.539 0.8698
Schistosoma mansoni hypothetical protein 0.0301 0.332 0.5397
Loa Loa (eye worm) hypothetical protein 0.0278 0.3045 0.3045
Echinococcus granulosus histone deacetylase 3 0.0534 0.6151 1
Schistosoma mansoni hypothetical protein 0.0293 0.3222 0.5238
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0289 0.3172 0.7863
Loa Loa (eye worm) carboxylesterase 0.0164 0.1653 0.1653
Echinococcus granulosus biogenic amine 5HT receptor 0.0272 0.2972 0.4832
Brugia malayi prolyl oligopeptidase family protein 0.0278 0.3045 0.3045
Loa Loa (eye worm) histone deacetylase 0.0471 0.539 0.539
Trypanosoma cruzi histone deacetylase 1, putative 0.0534 0.6151 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0164 0.0164
Echinococcus granulosus histone deacetylase 8 0.0291 0.3201 0.5205
Echinococcus granulosus histone deacetylase 6 0.0491 0.5631 0.9155
Loa Loa (eye worm) hypothetical protein 0.0039 0.0135 0.0135
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0138 0.1346 0.178
Echinococcus multilocularis histone deacetylase 6 0.0491 0.5631 0.9155
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0278 0.3045 0.495
Trypanosoma brucei oligopeptidase b 0.0127 0.1202 0.1533
Loa Loa (eye worm) histone deacetylase 1 0.0534 0.6151 0.6151
Trypanosoma cruzi oligopeptidase b 0.0127 0.1202 0.1533
Toxoplasma gondii histone deacetylase HDAC4 0.0851 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0053 0.0306 0.0497
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6151 1
Plasmodium vivax histone deacetylase 1, putative 0.0534 0.6151 0.6029
Loa Loa (eye worm) ceramide glucosyltransferase 0.0289 0.3172 0.3172
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0138 0.1346 0.178
Schistosoma mansoni histone deacetylase hda2 0.0291 0.3201 0.5205
Brugia malayi histone deacetylase 3 (HD3) 0.0534 0.6151 0.6151
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Loa Loa (eye worm) histone deacetylase 11 0.0851 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.033 0.0537
Loa Loa (eye worm) histone deacetylase 7A 0.0471 0.539 0.539
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0127 0.1202 0.1533
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.1653 0.2688
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0127 0.1202 0.5001
Schistosoma mansoni histone deacetylase 4 5 0.0471 0.539 0.8762
Echinococcus multilocularis prolyl endopeptidase 0.0278 0.3045 0.495
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0053 0.0306 0.0497
Loa Loa (eye worm) hypothetical protein 0.0272 0.2972 0.2972
Brugia malayi Histone deacetylase family protein 0.0471 0.539 0.539
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0396 0.0644
Loa Loa (eye worm) hypothetical protein 0.0048 0.0249 0.0249
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0249 0.0405
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Brugia malayi mbt repeat family protein 0.0048 0.0249 0.0249
Schistosoma mansoni histone deacetylase 0.0534 0.6151 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0105 0.017
Trypanosoma brucei histone deacetylase, putative 0.0471 0.539 0.8698
Echinococcus multilocularis histone deacetylase 8 0.0291 0.3201 0.5205
Echinococcus multilocularis histone deacetylase 6 0.0471 0.539 0.8762
Loa Loa (eye worm) hypothetical protein 0.0291 0.3201 0.3201
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0306 0.0497
Echinococcus multilocularis acetylcholinesterase 0.0164 0.1653 0.2688
Schistosoma mansoni ceramide glucosyltransferase 0.0289 0.3172 0.5157
Trypanosoma cruzi oligopeptidase b 0.0127 0.1202 0.1533
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0138 0.1346 0.1073
Echinococcus multilocularis histone deacetylase 3 0.0534 0.6151 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0127 0.1202 0.1533
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0249 0.0405
Mycobacterium tuberculosis Probable peptidase 0.0127 0.1202 0.5001
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2464 0.4007
Plasmodium falciparum histone deacetylase 2 0.0471 0.539 0.8698
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0138 0.1346 0.178
Brugia malayi Carboxylesterase family protein 0.0164 0.1653 0.1653
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1078 0.1078
Echinococcus granulosus acetylcholinesterase 0.0164 0.1653 0.2688
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.197 0.3203
Trypanosoma brucei histone deacetylase 3 0.0471 0.539 0.8698
Echinococcus granulosus Dipeptidyl peptidase 9 0.0138 0.1346 0.2189
Brugia malayi Bromodomain containing protein 0.0076 0.0584 0.0584
Brugia malayi prolyl oligopeptidase family protein 0.0138 0.1346 0.1346
Echinococcus granulosus ceramide glucosyltransferase 0.0289 0.3172 0.5157
Brugia malayi hypothetical protein 0.0086 0.0704 0.0704
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0249 0.0405
Toxoplasma gondii histone deacetylase HDAC2 0.0534 0.6151 0.6029
Trypanosoma cruzi histone deacetylase, putative 0.0471 0.539 0.8698
Plasmodium vivax histone deacetylase, putative 0.0851 1 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0138 0.1346 0.2189
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.033 0.0537
Toxoplasma gondii histone deacetylase HDAC1 0.0471 0.539 0.5244
Onchocerca volvulus Prolyl endopeptidase homolog 0.0278 0.3045 0.7548
Loa Loa (eye worm) hypothetical protein 0.0559 0.6463 0.6463
Schistosoma mansoni hypothetical protein 0.0047 0.0235 0.0382
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6151 1
Leishmania major histone deacetylase, putative 0.0471 0.539 0.8462
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.197 0.3203
Onchocerca volvulus 0.0048 0.0249 0.0617
Onchocerca volvulus Histone deacetylase 10 homolog 0.0291 0.3201 0.7936
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0278 0.3045 0.3724
Trypanosoma cruzi prolyl endopeptidase 0.0278 0.3045 0.4686
Echinococcus multilocularis histone deacetylase 7 0.0471 0.539 0.8762
Loa Loa (eye worm) hypothetical protein 0.0053 0.0306 0.0306
Schistosoma mansoni histone deacetylase hda2 0.0491 0.5631 0.9155
Loa Loa (eye worm) hypothetical protein 0.0043 0.0187 0.0187
Trypanosoma cruzi histone deacetylase, putative 0.0291 0.3201 0.4954
Loa Loa (eye worm) histone deacetylase 3 0.0534 0.6151 0.6151
Echinococcus granulosus histone deacetylase 1 0.0534 0.6151 1
Giardia lamblia Ceramide glucosyltransferase 0.0131 0.1254 0.1623
Onchocerca volvulus 0.0047 0.0235 0.0583
Echinococcus granulosus histone deacetylase 6 0.0471 0.539 0.8762
Schistosoma mansoni histone deacetylase 1 2 3 0.0291 0.3201 0.5205
Trypanosoma cruzi histone deacetylase, putative 0.0291 0.3201 0.4954
Echinococcus multilocularis serotonin receptor 0.0272 0.2972 0.4832
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Plasmodium falciparum histone deacetylase 1 0.0534 0.6151 1
Plasmodium vivax histone deacetylase 2, putative 0.0471 0.539 0.5244
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0225 0.2403 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0138 0.1346 0.0292
Loa Loa (eye worm) hypothetical protein 0.0164 0.1653 0.1653
Brugia malayi hypothetical protein 0.023 0.2464 0.2464
Echinococcus multilocularis histone deacetylase 6 0.0471 0.539 0.8762
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0127 0.1202 0.1533
Echinococcus multilocularis histone deacetylase 0.0471 0.539 0.8762
Echinococcus multilocularis acetylcholinesterase 0.0164 0.1653 0.2688
Brugia malayi mbt repeat family protein 0.0048 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0086 0.0704 0.0704
Loa Loa (eye worm) hypothetical protein 0.018 0.1852 0.1852
Loa Loa (eye worm) hypothetical protein 0.0534 0.6151 0.6151
Schistosoma mansoni histone deacetylase 0.0534 0.6151 1
Trypanosoma brucei prolyl endopeptidase 0.0278 0.3045 0.4686
Echinococcus multilocularis acylamino acid releasing enzyme 0.0053 0.0306 0.0497
Trypanosoma cruzi histone deacetylase, putative 0.0471 0.539 0.8698
Leishmania major histone deacetylase, putative 0.0534 0.6151 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0272 0.2972 0.4832
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0249 0.0617
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1078 0.1078
Echinococcus granulosus histone deacetylase 7 0.0471 0.539 0.8762
Plasmodium falciparum histone deacetylase, putative 0.0471 0.539 0.8698
Plasmodium vivax histone deacetylase, putative 0.0471 0.539 0.5244
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2464 0.4007
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0053 0.0306 0.0497
Brugia malayi prolyl oligopeptidase family protein 0.0053 0.0306 0.0306
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0105 0.017
Brugia malayi histone deacetylase 1 (HD1) 0.0534 0.6151 0.6151
Toxoplasma gondii histone deacetylase HDAC3 0.0534 0.6151 0.6029
Brugia malayi Carboxylesterase family protein 0.0164 0.1653 0.1653
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.1653 0.2688
Loa Loa (eye worm) prolyl oligopeptidase 0.0053 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0071 0.0532 0.0532
Brugia malayi Ceramide glucosyltransferase 0.0289 0.3172 0.3172
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.033 0.0537
Loa Loa (eye worm) hypothetical protein 0.023 0.2464 0.2464
Schistosoma mansoni ceramide glucosyltransferase 0.0289 0.3172 0.5157
Loa Loa (eye worm) hypothetical protein 0.0272 0.2972 0.2972
Brugia malayi prolyl oligopeptidase family protein 0.036 0.4034 0.4034
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0278 0.3045 0.495
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0138 0.1346 0.178
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0053 0.0306 0.0497
Loa Loa (eye worm) hypothetical protein 0.0164 0.1653 0.1653
Echinococcus granulosus acylamino acid releasing enzyme 0.0053 0.0306 0.0497
Schistosoma mansoni bromodomain containing protein 0.0064 0.044 0.0716
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.036 0.4034 0.6559
Trypanosoma brucei histone deacetylase 1 0.0534 0.6151 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0235 0.0235
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6151 1
Echinococcus granulosus carboxylesterase 5A 0.0164 0.1653 0.2688
Echinococcus granulosus histone deacetylase 6 0.0471 0.539 0.8762

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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