Detailed information for compound 1017891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.482 | Formula: C20H34O3
  • H donors: 2 H acceptors: 2 LogP: 2.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(/C=C/C[C@@]1(C)CC[C@]2(C)O[C@H]2CC[C@]([C@@H]2[C@@H]1C2)(C)O)(O)C
  • InChi: 1S/C20H34O3/c1-17(2,21)8-6-9-18(3)11-12-20(5)16(23-20)7-10-19(4,22)15-13-14(15)18/h6,8,14-16,21-22H,7,9-13H2,1-5H3/b8-6+/t14-,15-,16-,18-,19-,20-/m0/s1
  • InChiKey: SNGHBZRZTFPMAP-IMMUYQCLSA-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
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0.0674 0.2713
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1165 0.2736
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0497 0.113
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0034 0.0674 0.1735
Loa Loa (eye worm) acetyltransferase 0.0144 0.4395 1
Schistosoma mansoni hypothetical protein 0.0039 0.0857 0.0805
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0674 0.062
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0674 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0034 0.0674 0.2362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1165 0.2651
Loa Loa (eye worm) hypothetical protein 0.002 0.0224 0.0509
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0965 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0497 0.1026
Echinococcus multilocularis lamin 0.0028 0.0497 0.113
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1882 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0224 0.0509
Schistosoma mansoni DNA polymerase eta 0.002 0.0224 0.0167
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.1882 0.5636
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0224 0.0398
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0057 0.0014
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0857 0.0805
Plasmodium falciparum glutathione reductase 0.0097 0.2818 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0372 0.0739
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0224 0.0525
Echinococcus granulosus dna polymerase eta 0.002 0.0224 0.0525
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1182 0.2604
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0846 0.0805
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0221 0.7021 0.8906
Trypanosoma brucei unspecified product 0.002 0.0224 0.076
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0965 0.136
Echinococcus granulosus lamin 0.0028 0.0497 0.1166
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0674 0.1735
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.1882 0.4282
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0674 0.1533
Loa Loa (eye worm) hypothetical protein 0.0081 0.2262 0.5148
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.2818 0.6411
Trypanosoma cruzi trypanothione reductase, putative 0.0034 0.0674 0.1735
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0965 0.136
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Schistosoma mansoni lamin 0.0028 0.0497 0.0442
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.2262 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0034 0.0674 0.059
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0224 0.0167
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0674 0.2362
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0221 0.7021 0.8906
Plasmodium falciparum thioredoxin reductase 0.0097 0.2818 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0034 0.0674 0.1735
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.1882 0.2173
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0224 0.076
Echinococcus multilocularis lamin dm0 0.0028 0.0497 0.113
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0034 0.0674 0.2362
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0661 0.1405
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0224 0.0167
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0674 0.1582
Loa Loa (eye worm) hypothetical protein 0.0028 0.0497 0.113
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0674 0.6067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1882 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.4395 0.4362
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0246 0.7856 1
Brugia malayi Thioredoxin reductase 0.0097 0.2818 0.6369
Treponema pallidum NADH oxidase 0.0034 0.0674 0.5
Onchocerca volvulus 0.0028 0.0497 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0661 0.0608
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0057 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1165 0.1114
Schistosoma mansoni intermediate filament proteins 0.0028 0.0497 0.0442
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0057 0.0014
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Entamoeba histolytica hypothetical protein 0.0039 0.0857 0.3109
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1165 0.2651
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0224 0.076
Loa Loa (eye worm) glutathione reductase 0.0097 0.2818 0.6411
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1882 0.1835
Echinococcus granulosus GPCR family 2 0.0015 0.0057 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1165 0.1114
Mycobacterium tuberculosis Probable reductase 0.0221 0.7021 0.8906
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0246 0.7856 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0224 0.0509
Brugia malayi intermediate filament protein 0.0028 0.0497 0.1026
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0057 0.013
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1882 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1165 0.2736
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0.0674 0.2713
Entamoeba histolytica hypothetical protein 0.0039 0.0857 0.3109
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Onchocerca volvulus 0.0028 0.0497 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.4395 1
Echinococcus multilocularis musashi 0.0028 0.0497 0.113
Loa Loa (eye worm) hypothetical protein 0.0028 0.0479 0.109
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.1882 0.4419
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0674 0.2362
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1165 0.2565
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.2818 0.6411
Loa Loa (eye worm) hypothetical protein 0.0049 0.1182 0.2689
Echinococcus granulosus intermediate filament protein 0.0028 0.0497 0.1166
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0372 0.0739
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0846 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1165 0.1114
Schistosoma mansoni lamin 0.0028 0.0497 0.0442
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.2818 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.4395 1
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.2818 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0057 0.013
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0246 0.7856 1
Plasmodium vivax glutathione reductase, putative 0.0097 0.2818 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0057 0.013
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.4259 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0057 0.013
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0846 0.3054
Brugia malayi hypothetical protein 0.0039 0.0857 0.1857
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0224 0.0398
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0221 0.7021 0.8906
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0034 0.0674 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0661 0.1505
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0857 0.1951
Brugia malayi glutathione reductase 0.0097 0.2818 0.6369
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0674 0.6067
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0674 0.1735
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0224 0.076
Toxoplasma gondii thioredoxin reductase 0.0097 0.2818 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0221 0.7021 0.8906
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0057 0.013
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0965 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0.0674 0.2713
Leishmania major trypanothione reductase 0.0097 0.2818 1
Echinococcus granulosus lamin dm0 0.0028 0.0497 0.1166
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0224 0.076
Trypanosoma brucei trypanothione reductase 0.0097 0.2818 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0674 0.1735
Entamoeba histolytica hypothetical protein 0.0039 0.0857 0.3109
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0674 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0857 0.3109
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0224 0.076
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0051 0.0116
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0965 0.2267
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.1882 0.6393
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1182 0.2604
Echinococcus multilocularis dna polymerase eta 0.002 0.0224 0.0509
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0057 0.0134
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0497 0.113
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0.0674 0.7227
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.2262 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0965 0.136
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0221 0.7021 0.8906
Echinococcus granulosus dna polymerase kappa 0.002 0.0224 0.0525
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0224 0.0509
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1882 0.1835
Mycobacterium tuberculosis Probable oxidoreductase 0.0246 0.7856 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.2818 0.3399
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0857 0.2013
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0674 0.1433
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1165 0.2651
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.2818 0.6616
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1182 0.2689

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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