Detailed information for compound 1476091

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.688 | Formula: C29H46N2O
  • H donors: 1 H acceptors: 1 LogP: 10.58 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCNc1c2CCCCc2nc2c1cc(OC)cc2
  • InChi: 1S/C29H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-29-25-18-15-16-19-27(25)31-28-21-20-24(32-2)23-26(28)29/h20-21,23H,3-19,22H2,1-2H3,(H,30,31)
  • InChiKey: HGYOVORBHDDYLB-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
Loa Loa (eye worm) hypothetical protein 0.0041 0.0164 0.0164
Trypanosoma cruzi histone deacetylase 1, putative 0.0534 0.6151 1
Echinococcus granulosus histone deacetylase 6 0.0491 0.5631 0.9155
Echinococcus granulosus histone deacetylase 8 0.0291 0.3201 0.5205
Brugia malayi prolyl oligopeptidase family protein 0.0278 0.3045 0.3045
Echinococcus granulosus biogenic amine 5HT receptor 0.0272 0.2972 0.4832
Loa Loa (eye worm) histone deacetylase 0.0471 0.539 0.539
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0289 0.3172 0.7863
Schistosoma mansoni hypothetical protein 0.0293 0.3222 0.5238
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Loa Loa (eye worm) carboxylesterase 0.0164 0.1653 0.1653
Loa Loa (eye worm) hypothetical protein 0.0278 0.3045 0.3045
Schistosoma mansoni hypothetical protein 0.0301 0.332 0.5397
Echinococcus granulosus histone deacetylase 3 0.0534 0.6151 1
Trypanosoma cruzi histone deacetylase, putative 0.0471 0.539 0.8698
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
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.036 0.4034 0.6559
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0249 0.0405
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.1653 0.1653
Trypanosoma cruzi histone deacetylase 1, putative 0.0534 0.6151 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.036 0.4034 0.6559
Trypanosoma brucei prolyl oligopeptidase, putative 0.0127 0.1202 0.1533
Loa Loa (eye worm) hypothetical protein 0.0055 0.033 0.033
Brugia malayi Histone deacetylase 1 0.0534 0.6151 0.6151
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0127 0.1202 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.1078 0.1078
Schistosoma mansoni histone deacetylase 4 5 0.0471 0.539 0.8762
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0249 0.0405
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0249 0.0249
Trypanosoma brucei histone deacetylase 2 0.0291 0.3201 0.4954
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.033 0.0537
Echinococcus multilocularis histone deacetylase 1 0.0534 0.6151 1
Loa Loa (eye worm) prolyl oligopeptidase 0.036 0.4034 0.4034
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 granulosus prolyl endopeptidase 0.0278 0.3045 0.495
Echinococcus multilocularis serotonin receptor 0.0272 0.2972 0.4832
Trypanosoma brucei RNA helicase, putative 0.0301 0.332 0.5157
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.033 0.0537
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
Giardia lamblia Histone deacetylase 0.0534 0.6151 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0306 0.0306
Trypanosoma brucei histone deacetylase 4 0.0471 0.539 0.8698
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0396 0.0644
Leishmania major histone deacetylase, putative 0.0534 0.6151 1
Loa Loa (eye worm) MBCTL1 0.0055 0.033 0.033
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0249 0.0405
Echinococcus granulosus acetylcholinesterase 0.0164 0.1653 0.2688
Leishmania major histone deacetylase, putative 0.0471 0.539 0.8462
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
Brugia malayi Bromodomain containing protein 0.0039 0.0134 0.0134
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0249 0.0405
Echinococcus multilocularis ceramide glucosyltransferase 0.0289 0.3172 0.5157
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.036 0.4034 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 histone deacetylase 3 0.0534 0.6151 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0138 0.1346 0.1073
Schistosoma mansoni ceramide glucosyltransferase 0.0289 0.3172 0.5157
Echinococcus multilocularis acetylcholinesterase 0.0164 0.1653 0.2688
Trypanosoma cruzi oligopeptidase b 0.0127 0.1202 0.1533
Echinococcus multilocularis histone deacetylase 6 0.0471 0.539 0.8762
Echinococcus multilocularis histone deacetylase 8 0.0291 0.3201 0.5205
Loa Loa (eye worm) hypothetical protein 0.0291 0.3201 0.3201
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0306 0.0497
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Schistosoma mansoni histone deacetylase 0.0534 0.6151 1
Brugia malayi mbt repeat family protein 0.0048 0.0249 0.0249
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0249 0.0405
Trypanosoma brucei histone deacetylase, putative 0.0471 0.539 0.8698
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0105 0.017
Brugia malayi Histone deacetylase family protein 0.0471 0.539 0.539
Loa Loa (eye worm) hypothetical protein 0.0272 0.2972 0.2972
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 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
Schistosoma mansoni histone deacetylase 4 5 0.0471 0.539 0.8762
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0127 0.1202 0.5001
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.1653 0.2688
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
Loa Loa (eye worm) histone deacetylase 11 0.0851 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.033 0.0537
Trichomonas vaginalis histone deacetylase, putative 0.0534 0.6151 1
Brugia malayi histone deacetylase 3 (HD3) 0.0534 0.6151 0.6151
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
Plasmodium vivax histone deacetylase 1, putative 0.0534 0.6151 0.6029
Loa Loa (eye worm) ceramide glucosyltransferase 0.0289 0.3172 0.3172
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6151 1
Trypanosoma cruzi oligopeptidase b 0.0127 0.1202 0.1533
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0053 0.0306 0.0497
Toxoplasma gondii histone deacetylase HDAC4 0.0851 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0534 0.6151 0.6151
Trypanosoma brucei oligopeptidase b 0.0127 0.1202 0.1533
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0278 0.3045 0.495
Echinococcus multilocularis histone deacetylase 6 0.0491 0.5631 0.9155
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0138 0.1346 0.178
Loa Loa (eye worm) hypothetical protein 0.0039 0.0135 0.0135
Echinococcus multilocularis acetylcholinesterase 0.0164 0.1653 0.2688
Brugia malayi mbt repeat family protein 0.0048 0.0249 0.0249
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
Loa Loa (eye worm) hypothetical protein 0.0164 0.1653 0.1653
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0138 0.1346 0.0292
Brugia malayi hypothetical protein 0.023 0.2464 0.2464
Echinococcus multilocularis histone deacetylase 6 0.0471 0.539 0.8762
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
Echinococcus multilocularis serotonin receptor 0.0272 0.2972 0.4832
Onchocerca volvulus 0.0047 0.0235 0.0583
Schistosoma mansoni histone deacetylase 1 2 3 0.0291 0.3201 0.5205
Echinococcus granulosus histone deacetylase 6 0.0471 0.539 0.8762
Trypanosoma cruzi histone deacetylase, putative 0.0291 0.3201 0.4954
Echinococcus granulosus histone deacetylase 1 0.0534 0.6151 1
Giardia lamblia Ceramide glucosyltransferase 0.0131 0.1254 0.1623
Loa Loa (eye worm) histone deacetylase 3 0.0534 0.6151 0.6151
Trypanosoma cruzi histone deacetylase, putative 0.0291 0.3201 0.4954
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 prolyl endopeptidase 0.0278 0.3045 0.4686
Echinococcus multilocularis histone deacetylase 7 0.0471 0.539 0.8762
Onchocerca volvulus Histone deacetylase 10 homolog 0.0291 0.3201 0.7936
Onchocerca volvulus 0.0048 0.0249 0.0617
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0278 0.3045 0.3724
Schistosoma mansoni hypothetical protein 0.0047 0.0235 0.0382
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6151 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.197 0.3203
Leishmania major histone deacetylase, putative 0.0471 0.539 0.8462
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
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.033 0.0537
Plasmodium vivax histone deacetylase, putative 0.0851 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0471 0.539 0.8698
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0138 0.1346 0.2189
Brugia malayi hypothetical protein 0.0086 0.0704 0.0704
Echinococcus granulosus ceramide glucosyltransferase 0.0289 0.3172 0.5157
Toxoplasma gondii histone deacetylase HDAC2 0.0534 0.6151 0.6029
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0249 0.0405
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 Dipeptidyl peptidase 9 0.0138 0.1346 0.2189
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.197 0.3203
Trypanosoma brucei histone deacetylase 3 0.0471 0.539 0.8698
Echinococcus granulosus acetylcholinesterase 0.0164 0.1653 0.2688
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
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
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2464 0.4007
Echinococcus granulosus histone deacetylase 6 0.0471 0.539 0.8762
Echinococcus granulosus carboxylesterase 5A 0.0164 0.1653 0.2688
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0534 0.6151 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0235 0.0235
Trypanosoma brucei histone deacetylase 1 0.0534 0.6151 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0053 0.0306 0.0497
Loa Loa (eye worm) hypothetical protein 0.0164 0.1653 0.1653
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.036 0.4034 0.6559
Schistosoma mansoni bromodomain containing protein 0.0064 0.044 0.0716
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0053 0.0306 0.0497
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0138 0.1346 0.178
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0278 0.3045 0.495
Schistosoma mansoni ceramide glucosyltransferase 0.0289 0.3172 0.5157
Loa Loa (eye worm) hypothetical protein 0.023 0.2464 0.2464
Loa Loa (eye worm) hypothetical protein 0.0272 0.2972 0.2972
Brugia malayi prolyl oligopeptidase family protein 0.036 0.4034 0.4034
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
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
Toxoplasma gondii histone deacetylase HDAC3 0.0534 0.6151 0.6029
Brugia malayi Carboxylesterase family protein 0.0164 0.1653 0.1653
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
Brugia malayi prolyl oligopeptidase family protein 0.0053 0.0306 0.0306
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0053 0.0306 0.0497
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2464 0.4007
Plasmodium vivax histone deacetylase, putative 0.0471 0.539 0.5244
Echinococcus granulosus histone deacetylase 7 0.0471 0.539 0.8762
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1078 0.1078
Plasmodium falciparum histone deacetylase, putative 0.0471 0.539 0.8698
Trichomonas vaginalis 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
Leishmania major histone deacetylase, putative 0.0534 0.6151 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0053 0.0306 0.0497
Trypanosoma cruzi histone deacetylase, putative 0.0471 0.539 0.8698
Schistosoma mansoni histone deacetylase 0.0534 0.6151 1
Loa Loa (eye worm) hypothetical protein 0.0534 0.6151 0.6151
Trypanosoma brucei prolyl endopeptidase 0.0278 0.3045 0.4686
Loa Loa (eye worm) hypothetical protein 0.0086 0.0704 0.0704
Loa Loa (eye worm) hypothetical protein 0.018 0.1852 0.1852

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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