Detailed information for compound 986203

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.556 | Formula: C24H38O4
  • H donors: 0 H acceptors: 1 LogP: 4.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@@H]1C/C(=C\CC[C@]([C@H]3O1)(C)OC[C@@H]2C)/C
  • InChi: 1S/C24H38O4/c1-6-8-19(25)28-22-15(3)12-17-16(4)13-26-24(5)10-7-9-14(2)11-18-21(22)20(17)23(24)27-18/h9,15-18,20-23H,6-8,10-13H2,1-5H3/b14-9-/t15-,16+,17+,18+,20+,21+,22-,23+,24+/m1/s1
  • InChiKey: GRBBMLGQMUNLFS-RQZIBGQGSA-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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0198 0.0343 0.0343
Toxoplasma gondii LsmAD domain-containing protein 0.0057 0.0056 0.1626
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0012 0.0012
Entamoeba histolytica hypothetical protein 0.0076 0.0095 0.6443
Echinococcus granulosus intermediate filament protein 0.003 0.0001 0.0001
Schistosoma mansoni aldehyde dehydrogenase 0.0198 0.0343 0.0343
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.4954 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0056 0.003
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0095 0.0095
Schistosoma mansoni alpha-glucosidase 0.0162 0.027 0.027
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0198 0.0343 0.0343
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0095 0.0095
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.4954 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.2324 0.466 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0036 0.0022
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.0056 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0023 0.0023
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0026 0.0026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0048 0.0048
Echinococcus granulosus lysosomal alpha glucosidase 0.0189 0.0324 0.0324
Schistosoma mansoni intermediate filament proteins 0.003 0.0001 0.0001
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0056 0.003
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0034 0.001 0.001
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0026 0.0026
Schistosoma mansoni kinase 0.0048 0.0038 0.0038
Brugia malayi hypothetical protein 0.0076 0.0095 0.0095
Trypanosoma brucei PAB1-binding protein , putative 0.0057 0.0056 0.003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0048 0.0048
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0133 0.0133
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0012 0.0012
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0001 0.0001
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0133 0.0133
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0095 0.0095
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0026 0.0026
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0133 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0042 0.0042
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0095 0.0095
Trichomonas vaginalis conserved hypothetical protein 0.204 0.4082 0.8753
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023
Loa Loa (eye worm) hypothetical protein 0.014 0.0225 0.0225
Echinococcus multilocularis musashi 0.003 0.0001 0.0001
Toxoplasma gondii aldehyde dehydrogenase 0.0198 0.0343 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 0.0324 0.0324
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0026 0.0751
Onchocerca volvulus 0.003 0.0001 0.0059
Onchocerca volvulus Huntingtin homolog 0.014 0.0225 1
Entamoeba histolytica hypothetical protein 0.0076 0.0095 0.6443
Onchocerca volvulus 0.003 0.0001 0.0059
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.4954 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.204 0.4082 0.4082
Loa Loa (eye worm) hypothetical protein 0.005 0.0042 0.0042
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.003 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.005 0.0042 0.0042
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0198 0.0343 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0133 0.0133
Schistosoma mansoni lamin 0.003 0.0001 0.0001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0048 0.0048
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023
Brugia malayi jmjC domain containing protein 0.0035 0.0012 0.0012
Schistosoma mansoni alpha-glucosidase 0.0162 0.027 0.027
Brugia malayi hypothetical protein 0.0057 0.0056 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.0198 0.0343 0.0343
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0076 0.0095 0.0095
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0042 0.0042
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0133 0.0107
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0042 0.0042
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.2324 0.466 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.204 0.4082 0.4082
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0133 0.0107
Brugia malayi hypothetical protein 0.014 0.0225 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0048 0.0048
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0133 0.5903
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023
Brugia malayi intermediate filament protein 0.003 0.0001 0.0001
Giardia lamblia Kinase, PLK 0.0094 0.0133 0.0284
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.4954 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0198 0.0343 0.0318
Brugia malayi MH2 domain containing protein 0.0132 0.0209 0.0209
Schistosoma mansoni lamin 0.003 0.0001 0.0001
Plasmodium vivax ataxin-2 like protein, putative 0.0057 0.0056 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0026 0.0026
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0133 0.0133
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.014 0.0225 0.0225
Schistosoma mansoni patched 1 0.204 0.4082 0.4082
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.4954 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 0.0324 0.0324
Echinococcus multilocularis protein dispatched 1 0.204 0.4082 0.4082
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023
Brugia malayi Glycosyl hydrolases family 31 protein 0.0189 0.0324 0.0324
Echinococcus granulosus sterol regulatory element binding protein 0.204 0.4082 0.4082
Echinococcus multilocularis lamin dm0 0.003 0.0001 0.0001
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.4954 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0012 0.0012
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0133 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.4954 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0048 0.0048
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0063 0.0063
Trypanosoma brucei polo-like protein kinase 0.0094 0.0133 0.0107
Echinococcus multilocularis lamin 0.003 0.0001 0.0001
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0135 0.0135
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.2324 0.466 1
Schistosoma mansoni alpha glucosidase 0.0042 0.0026 0.0026
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0189 0.0324 0.0324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0048 0.0048
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0133 0.0133
Loa Loa (eye worm) intermediate filament protein 0.003 0.0001 0.0001
Brugia malayi jmjC domain containing protein 0.0095 0.0135 0.0135
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023
Loa Loa (eye worm) hypothetical protein 0.0034 0.001 0.001
Onchocerca volvulus 0.0109 0.0162 0.7224
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.001 0.001
Echinococcus multilocularis Niemann Pick C1 protein 0.204 0.4082 0.4082
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.4954 1 1
Loa Loa (eye worm) hypothetical protein 0.204 0.4082 0.4082
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0012 0.0012
Echinococcus multilocularis protein patched 0.204 0.4082 0.4082
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.2324 0.466 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0048 0.0048
Brugia malayi hypothetical protein 0.0037 0.0015 0.0015
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0023 0.0023
Brugia malayi CHE-14 protein 0.204 0.4082 0.4082
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.0209 0.0209
Onchocerca volvulus Huntingtin homolog 0.014 0.0225 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0056 0.0056
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0135 0.0135
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0036 0.0022
Entamoeba histolytica hypothetical protein 0.0076 0.0095 0.6443
Leishmania major hypothetical protein, conserved 0.0057 0.0056 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0048 0.0048
Echinococcus granulosus lamin dm0 0.003 0.0001 0.0001
Echinococcus multilocularis sterol regulatory element binding protein 0.204 0.4082 0.4082
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.0056 1
Echinococcus granulosus Protein patched homolog 1 0.204 0.4082 0.4082
Echinococcus granulosus lamin 0.003 0.0001 0.0001
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.204 0.4082 0.4082
Entamoeba histolytica hypothetical protein 0.0076 0.0095 0.6443
Loa Loa (eye worm) hypothetical protein 0.4954 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0133 0.023

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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