Detailed information for compound 1800051

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.482 | Formula: C20H33NO2
  • H donors: 2 H acceptors: 1 LogP: 4.77 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCc1ccc(cc1)CO[C@@H]1CCN[C@H]1CO
  • InChi: 1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)16-23-20-13-14-21-19(20)15-22/h9-12,19-22H,2-8,13-16H2,1H3/t19-,20+/m0/s1
  • InChiKey: RLSSWQIHMRWZSK-VQTJNVASSA-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
Entamoeba histolytica cysteine protease, putative 0.002 0.0226 0.2868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0788 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0226 0.023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1537 1
Plasmodium vivax SET domain protein, putative 0.0035 0.0591 1
Brugia malayi Inositol-1 0.0043 0.0788 0.0802
Echinococcus multilocularis GPCR, family 2 0.0018 0.0199 0.0202
Onchocerca volvulus 0.002 0.0226 0.0245
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0591 0.6492
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Echinococcus granulosus cathepsin l1 0.0013 0.0072 0.0073
Loa Loa (eye worm) hypothetical protein 0.0058 0.1148 0.1102
Onchocerca volvulus 0.002 0.0226 0.0245
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0226 0.0158
Onchocerca volvulus Cathepsin L homolog 0.002 0.0226 0.0245
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.0072 0.0072
Echinococcus multilocularis cysteine protease 0.002 0.0226 0.023
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0199 0.0202
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0591 0.0601
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0788 0.124
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0591 0.0591
Loa Loa (eye worm) inositol-1 0.0043 0.0788 0.0734
Schistosoma mansoni inositol monophosphatase 0.0043 0.0788 0.0788
Echinococcus granulosus GPCR family 2 0.0018 0.0199 0.0202
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1148 0.1167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0226 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0788 0.124
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0199 0.0202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0226 0.0158
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0226 0.0158
Echinococcus granulosus tumor protein p63 0.0395 0.9171 0.9323
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0788 1
Loa Loa (eye worm) ctsf protein 0.002 0.0226 0.0158
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0226 0.023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Onchocerca volvulus 0.002 0.0226 0.0245
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0788 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0199 0.0199
Leishmania major cathepsin L-like protease 0.0075 0.1537 1
Brugia malayi Cathepsin L-like precursor 0.0013 0.0072 0.0073
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0199 0.0202
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0226 0.1472
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0226 0.2868
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0199 0.013
Onchocerca volvulus 0.0058 0.1137 0.1695
Brugia malayi Pre-SET motif family protein 0.0244 0.5556 0.5649
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0226 1
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0226 0.023
Schistosoma mansoni hypothetical protein 0.0018 0.0199 0.0199
Brugia malayi Cathepsin L-like precursor 0.002 0.0226 0.023
Brugia malayi Cathepsin L-like precursor 0.002 0.0226 0.023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0199 0.013
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0788 0.124
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0561 0.057
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0226 0.023
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0199 0.0202
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0681 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0226 0.0356
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0226 0.023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.5556 0.5617
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1537 1
Loa Loa (eye worm) fibroinase 0.002 0.0226 0.0158
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0226 0.023
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.1156 0.7525
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0226 0.0226
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.0072 0.0073
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.1537 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Onchocerca volvulus 0.0277 0.6357 1
Loa Loa (eye worm) cysteine protease 0.002 0.0226 0.0158
Brugia malayi Cathepsin L-like precursor 0.002 0.0226 0.023
Schistosoma mansoni hypothetical protein 0.0018 0.0199 0.0199
Echinococcus multilocularis tumor protein p63 0.0395 0.9171 0.9323
Loa Loa (eye worm) hypothetical protein 0.0423 0.9837 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0591 0.0591
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0423 0.9837 1
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0423 0.9837 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Onchocerca volvulus 0.002 0.0226 0.0245
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.1137 0.1137
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0788 0.0802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0072 0.0113
Schistosoma mansoni hypothetical protein 0.004 0.0709 0.0709
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.1382 0.8997
Onchocerca volvulus Cathepsin F homolog 0.002 0.0226 0.0245
Onchocerca volvulus 0.002 0.0226 0.0245
Loa Loa (eye worm) hypothetical protein 0.0035 0.0591 0.0532
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1148 0.1167
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0788 0.5131
Loa Loa (eye worm) hypothetical protein 0.0423 0.9837 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1537 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Trichomonas vaginalis set domain proteins, putative 0.0277 0.6357 1
Leishmania major cathepsin L-like protease 0.0075 0.1537 1
Schistosoma mansoni inositol monophosphatase 0.0043 0.0788 0.0788
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0226 1
Onchocerca volvulus 0.002 0.0226 0.0245
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0072 0.0113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0226 0.0226
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0226 0.2868
Echinococcus multilocularis cysteine protease 0.002 0.0226 0.023
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0788 0.5131
Brugia malayi Cathepsin L-like precursor 0.0013 0.0072 0.0073
Brugia malayi cathepsin L-like precursor 0.0013 0.0072 0.0073
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0591 0.0601
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0681 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0709 0.0721
Plasmodium vivax vivapain-2 0.002 0.0226 0.3825
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0591 0.0601
Schistosoma mansoni hypothetical protein 0.0018 0.0199 0.0199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Plasmodium vivax vivapain-2 0.002 0.0226 0.3825
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Brugia malayi Protein kinase domain containing protein 0.0423 0.9837 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1148 0.1102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0591 0.0591
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0788 0.5131
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0709 0.0652
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0199 0.0202
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.0423 0.9837 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0788 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0591 0.0591
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0788 0.0802
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1537 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0199 0.0202
Brugia malayi Pre-SET motif family protein 0.0035 0.0591 0.0601
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0226 0.023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0226 0.0356
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0788 0.4291
Echinococcus granulosus cathepsin l1 0.002 0.0226 0.023
Leishmania major cathepsin L-like protease 0.0075 0.1537 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0226 0.0356
Brugia malayi Cathepsin L-like precursor 0.002 0.0226 0.023
Loa Loa (eye worm) hypothetical protein 0.0058 0.1137 0.1091
Onchocerca volvulus 0.002 0.0226 0.0245
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0226 0.023
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0226 0.0356
Onchocerca volvulus Cathepsin L homolog 0.002 0.0226 0.0245
Onchocerca volvulus 0.0035 0.0591 0.0826
Brugia malayi Cathepsin L-like precursor 0.002 0.0226 0.023
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.0072 0.0912

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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