Detailed information for compound 1555971

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.467 | Formula: C20H32O2
  • H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@H]1CC[C@]2([C@H]1CC[C@H](C)[C@]1(C(=C(C)C(=O)C1)C2)O)C)C
  • InChi: 1S/C20H32O2/c1-12(2)15-8-9-19(5)10-17-14(4)18(21)11-20(17,22)13(3)6-7-16(15)19/h12-13,15-16,22H,6-11H2,1-5H3/t13-,15+,16-,19+,20+/m0/s1
  • InChiKey: UHLQGMSCOUMZFU-UIGPTYSNSA-N  

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 0.0036 0.0615 0.0615
Brugia malayi beta-lactamase family protein 0.004 0.0741 0.0741
Schistosoma mansoni lamin 0.0026 0.0308 0.0361
Echinococcus multilocularis CAAX prenyl protease 2 0.0097 0.2547 0.2547
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0253 0.0869
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0097 0.2547 0.2985
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0741 0.0741
Onchocerca volvulus 0.0026 0.0308 0.0308
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0141 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0141 0.0141
Trichomonas vaginalis maltase-glucoamylase, putative 0.0074 0.1807 0.6645
Mycobacterium ulcerans beta-lactamase 0.004 0.0741 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0141 0.0165
Schistosoma mansoni coup transcription factor 0.0021 0.0141 0.0165
Toxoplasma gondii ABC1 family protein 0.004 0.0741 0.3738
Brugia malayi hypothetical protein 0.0025 0.0253 0.0253
Mycobacterium tuberculosis Conserved protein 0.004 0.0741 0.085
Loa Loa (eye worm) hypothetical protein 0.0167 0.4743 0.4743
Trypanosoma brucei glycosyl hydrolase-like protein 0.0027 0.0341 0.0382
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0741 0.2128
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0341 0.0382
Echinococcus multilocularis muscleblind protein 0.0167 0.4743 0.4743
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0141 0.0141
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0141 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2427 0.2844
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0741 0.1816
Brugia malayi ecdysteroid receptor 0.0021 0.0141 0.0141
Mycobacterium ulcerans hypothetical protein 0.004 0.0741 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0741 0.085
Loa Loa (eye worm) hypothetical protein 0.004 0.0741 0.0741
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0741 0.1816
Brugia malayi Muscleblind-like protein 0.0167 0.4743 0.4743
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0141 0.0141
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0141 0.0141
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0741 0.085
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.1807 0.6645
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0141 0.0141
Trypanosoma brucei CAAX amino terminal protease, putative 0.0097 0.2547 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0741 0.085
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0741 0.0741
Loa Loa (eye worm) hypothetical protein 0.0027 0.0341 0.0341
Echinococcus granulosus muscleblind protein 0.0167 0.4743 0.4743
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0741 0.1816
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3178 0.3178
Loa Loa (eye worm) hypothetical protein 0.004 0.0741 0.0741
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0074 0.1807 0.6969
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0141 0.0165
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0141 0.0165
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0141 0.0141
Schistosoma mansoni intermediate filament proteins 0.0026 0.0308 0.0361
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0141 0.0141
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0741 0.0869
Onchocerca volvulus 0.0026 0.0308 0.0308
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0141 0.0165
Echinococcus multilocularis lamin dm0 0.0026 0.0308 0.0308
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0027 0.0341 0.0368
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1144 0.1144
Trichomonas vaginalis esterase, putative 0.004 0.0741 0.1816
Echinococcus multilocularis musashi 0.0026 0.0308 0.0308
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0741 0.0869
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0141 0.0165
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0741 0.1816
Echinococcus granulosus CAAX prenyl protease 2 0.0097 0.2547 0.2547
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Brugia malayi beta-lactamase 0.004 0.0741 0.0741
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0074 0.1807 0.6969
Schistosoma mansoni hypothetical protein 0.0166 0.4732 0.5545
Loa Loa (eye worm) hypothetical protein 0.0026 0.0308 0.0308
Brugia malayi CAAX amino terminal protease family protein 0.0097 0.2547 0.2547
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0141 0.0141
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0141 0.0141
Brugia malayi beta-lactamase family protein 0.004 0.0741 0.0741
Echinococcus granulosus neutral alpha glucosidase AB 0.0074 0.1807 0.1807
Schistosoma mansoni lamin 0.0026 0.0308 0.0361
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1144 0.1144
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0141 0.0141
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0308 0.0308
Leishmania major hypothetical protein, conserved 0.004 0.0741 0.2128
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0253 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0097 0.2547 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Onchocerca volvulus 0.004 0.0741 0.1108
Brugia malayi steroid hormone receptor 0.0021 0.0141 0.0141
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.1807 0.6645
Loa Loa (eye worm) hypothetical protein 0.0053 0.1144 0.1144
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.2427 0.2427
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0141 0.0165
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0141 0.0141
Mycobacterium ulcerans lipase LipD 0.004 0.0741 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.759 1
Schistosoma mansoni hypothetical protein 0.0166 0.4732 0.5545
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0741 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0074 0.1807 0.6645
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0141 0.0165
Echinococcus multilocularis lamin 0.0026 0.0308 0.0308
Treponema pallidum hypothetical protein 0.002 0.0105 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0741 0.1816
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0141 0.0141
Echinococcus granulosus intermediate filament protein 0.0026 0.0308 0.0308
Mycobacterium leprae conserved hypothetical protein 0.004 0.0741 0.5
Mycobacterium tuberculosis Conserved protein 0.004 0.0741 0.085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2427 0.2844
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1144 0.1144
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0141 0.0141
Echinococcus granulosus lamin dm0 0.0026 0.0308 0.0308
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0141 0.0141
Echinococcus multilocularis lysosomal alpha glucosidase 0.0333 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0074 0.1807 0.6645
Echinococcus granulosus lamin 0.0026 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0137 0.3795 0.3795
Loa Loa (eye worm) hypothetical protein 0.0137 0.3795 0.3795
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0141 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.2427 0.2427
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0097 0.2547 0.2985
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0141 0.0141
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0074 0.1807 0.1807
Leishmania major alpha glucosidase II subunit, putative 0.0074 0.1807 0.6773
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0141 0.0141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2427 0.2844
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0141 0.0141
Onchocerca volvulus Huntingtin homolog 0.0137 0.3795 0.6742
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0253 0.2324
Trypanosoma brucei glucosidase, putative 0.0074 0.1807 0.6773
Brugia malayi hypothetical protein 0.0137 0.3795 0.3795
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.2427 0.2427
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1807 0.6773
Schistosoma mansoni hypothetical protein 0.0036 0.0615 0.072
Schistosoma mansoni alpha glucosidase 0.0074 0.1807 0.2117
Trichomonas vaginalis sucrase-isomaltase, putative 0.0074 0.1807 0.6645
Echinococcus multilocularis neutral alpha glucosidase AB 0.0074 0.1807 0.1807
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0141 0.0141
Schistosoma mansoni alpha-glucosidase 0.0286 0.8534 1
Brugia malayi intermediate filament protein 0.0026 0.0308 0.0308
Leishmania major glycosyl hydrolase-like protein 0.0027 0.0341 0.0382
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0141 0.0165
Loa Loa (eye worm) hypothetical protein 0.0026 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0025 0.0253 0.0253
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0741 0.2128
Mycobacterium leprae Probable lipase LipE 0.004 0.0741 0.5
Entamoeba histolytica CAAX prenyl protease family 0.0097 0.2547 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Brugia malayi Glycosyl hydrolases family 31 protein 0.0074 0.1807 0.1807
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0741 0.0741
Chlamydia trachomatis hypothetical protein 0.002 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0027 0.0341 0.0964
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.2427 0.2427
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0741 0.085
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0141 0.0141
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.004 0.0741 0.0741
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0741 0.085
Onchocerca volvulus 0.004 0.0741 0.1108
Loa Loa (eye worm) hypothetical protein 0.0097 0.2547 0.2547
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0141 0.0141
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0741 0.0741
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0141 0.0141
Giardia lamblia Hypothetical protein 0.0097 0.2547 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0741 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.0141 0.0141
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.1807 0.6645
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.2427 0.2427
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0333 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3178 0.3178
Loa Loa (eye worm) hypothetical protein 0.004 0.0741 0.0741
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0097 0.2547 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0741 0.0741
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.2427 0.2427
Schistosoma mansoni alpha-glucosidase 0.0286 0.8534 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0097 0.2547 1
Onchocerca volvulus 0.004 0.0741 0.1108
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1807 0.6773
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0141 0.0165
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0741 0.2128
Loa Loa (eye worm) hypothetical protein 0.0167 0.4743 0.4743
Plasmodium vivax hypothetical protein, conserved 0.004 0.0741 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0308 0.0308
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0141 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0141 0.0141
Echinococcus granulosus geminin 0.0166 0.4732 0.4732
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0074 0.1807 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0141 0.0141
Echinococcus granulosus lysosomal alpha glucosidase 0.0333 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0141 0.0141
Onchocerca volvulus 0.0192 0.556 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0333 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0253 1
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0741 0.085
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0141 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0141 0.0141
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0141 0.0165
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0141 0.0141
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0741 0.085
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0341 0.0382
Brugia malayi MH2 domain containing protein 0.0117 0.3178 0.3178
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0141 0.0141
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.1807 0.6645
Loa Loa (eye worm) hypothetical protein 0.0021 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0141 0.0141
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0141 0.0141
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.004 0.0741 0.0741
Echinococcus multilocularis muscleblind protein 1 0.0167 0.4743 0.4743
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0097 0.2547 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0308 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0141 0.0141
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0141 0.0141
Echinococcus multilocularis geminin 0.0166 0.4732 0.4732
Brugia malayi nuclear hormone receptor 0.0021 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.004 0.0741 0.0741
Onchocerca volvulus Huntingtin homolog 0.0137 0.3795 0.6742
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0741 0.085
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.1807 0.6645
Brugia malayi Glycosyl hydrolases family 31 protein 0.0027 0.0341 0.0341

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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