Detailed information for compound 160510

Basic information

Technical information
  • TDR Targets ID: 160510
  • Name: 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methylox an-2-yl)-3-methyloxolan-2-yl]-4-hydroxy-3,5-d imethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
  • MW: 590.788 | Formula: C34H54O8
  • H donors: 4 H acceptors: 6 LogP: 6.45 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(C(=O)C(C(C(CCc1ccc(c(c1C(=O)O)O)C)C)O)C)C1OC(CC1C)(CC)C1CCC(C(O1)C)(O)CC
  • InChi: 1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)
  • InChiKey: BBMULGJBVDDDNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
  • 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-2-tetrahydropyranyl)-3-methyl-2-tetrahydrofuranyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
  • 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-oxan-2-yl)-3-methyl-oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
  • 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-6-keto-3,5-dimethyl-nonyl]-2-hydroxy-3-methyl-benzoic acid
  • Lasalocid
  • 11054-70-9
  • 2,3-CRESOTIC ACID, 6-(7-(5-ETHYL-5-(5-ETHYLTETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRA
  • Antibiotic X 537
  • Bovatec R
  • ANTIBIOTIC X-536A
  • NSC177406
  • NCI60_001946

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
Trichomonas vaginalis conserved hypothetical protein 0.058 0.1579 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0371 0.0966 0.0966
Loa Loa (eye worm) hhat protein 0.058 0.1579 0.1579
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.3449 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0092 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.0056 0.0042 0.0042
Loa Loa (eye worm) MBOAT family protein 0.058 0.1579 0.1579
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.058 0.1579 0.1579
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0044 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.058 0.1579 0.1579
Echinococcus granulosus GPCR family 3 C terminal 0.0072 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0545 0.1477 0.1477
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.058 0.1579 0.1579
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.058 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.058 0.1579 0.1579
Brugia malayi dihydrofolate reductase family protein 0.06 0.1637 0.1637
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0056 0.0042 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0021 0.0021
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0056 0.0042 0.0042
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.3449 1 1
Echinococcus multilocularis GPCR, family 2 0.0056 0.0042 0.0042
Brugia malayi MBOAT family protein 0.058 0.1579 0.1579
Echinococcus granulosus geminin 0.0169 0.0374 0.0374
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.022 0.022
Trichomonas vaginalis conserved hypothetical protein 0.058 0.1579 0.5
Brugia malayi Latrophilin receptor protein 2 0.0056 0.0042 0.0042
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.058 0.1579 0.1579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0021 0.0021
Loa Loa (eye worm) MBOAT family protein 0.058 0.1579 0.1579
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.3449 1 1
Trypanosoma cruzi GUP1, putative 0.058 0.1579 1
Brugia malayi Steroid receptor seven-up type 2 0.0098 0.0165 0.0165
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.3449 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0089 0.0089
Echinococcus granulosus GPCR family 2 0.0056 0.0042 0.0042
Leishmania major hypothetical protein, conserved 0.058 0.1579 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.058 0.1579 0.1579
Trypanosoma cruzi glycerol uptake protein, putative 0.058 0.1579 1
Schistosoma mansoni hypothetical protein 0.0121 0.0233 0.0233
Brugia malayi metabotropic glutamate receptor type 2 0.0216 0.0511 0.0511
Entamoeba histolytica hypothetical protein 0.058 0.1579 1
Leishmania major glycerol uptake protein, putative 0.058 0.1579 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0021 0.0021
Echinococcus multilocularis microtubule associated protein 2 0.0412 0.1088 0.1088
Brugia malayi MBOAT family protein 0.058 0.1579 0.1579
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.058 0.1579 0.1579
Trypanosoma cruzi GUP1, putative 0.058 0.1579 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.3449 1 1
Loa Loa (eye worm) hhat protein 0.058 0.1579 0.1579
Loa Loa (eye worm) MBOAT family protein 0.058 0.1579 0.1579
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0021 0.0021
Loa Loa (eye worm) glutamate receptor 0.0443 0.1177 0.1177
Schistosoma mansoni zinc finger protein 0.058 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.0113 0.0211 0.0211
Leishmania major glycerol uptake protein, putative 0.058 0.1579 1
Schistosoma mansoni hypothetical protein 0.0056 0.0042 0.0042
Plasmodium falciparum diacylglycerol O-acyltransferase 0.3449 1 1
Leishmania major glycerol uptake protein, putative 0.058 0.1579 1
Brugia malayi MH2 domain containing protein 0.0117 0.022 0.022
Echinococcus granulosus sodium channel protein 0.0044 0.0007 0.0007
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0113 0.0211 0.0211
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.058 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.0093 0.0151 0.0151
Brugia malayi Dihydrofolate reductase 0.06 0.1637 0.1637
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0072 0.0089 0.0089
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.058 0.1579 1
Echinococcus multilocularis sterol O acyltransferase 1 0.058 0.1579 0.1579
Trypanosoma cruzi glycerol uptake protein, putative 0.058 0.1579 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.058 0.1579 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.058 0.1579 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0233 0.0233
Echinococcus granulosus metabotropic glutamate receptor 2 0.0371 0.0966 0.0966
Echinococcus multilocularis GPCR, family 3, C terminal 0.0072 0.0089 0.0089
Treponema pallidum alginate O-acetylation protein (algI) 0.058 0.1579 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.06 0.1637 0.5
Echinococcus multilocularis geminin 0.0169 0.0374 0.0374
Entamoeba histolytica vacuolar protein sorting 26 0.058 0.1579 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0487 0.1308 0.8284
Loa Loa (eye worm) hypothetical protein 0.0056 0.0042 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0021 0.0021
Echinococcus granulosus microtubule associated protein 2 0.0412 0.1088 0.1088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0177 0.0397 0.0397
Brugia malayi MBOAT family protein 0.058 0.1579 0.1579
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0098 0.0165 0.0165
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.058 0.1579 0.1579
Brugia malayi MBOAT family protein 0.058 0.1579 0.1579
Schistosoma mansoni hypothetical protein 0.0056 0.0042 0.0042
Echinococcus granulosus dihydrofolate reductase 0.06 0.1637 0.1637
Loa Loa (eye worm) hypothetical protein 0.058 0.1579 0.1579
Schistosoma mansoni hypothetical protein 0.0169 0.0374 0.0374
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.058 0.1579 0.1579
Echinococcus granulosus sterol O acyltransferase 1 0.058 0.1579 0.1579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0177 0.0397 0.0397
Schistosoma mansoni sterol O-acyltransferase 1 0.058 0.1579 0.1579
Trichomonas vaginalis conserved hypothetical protein 0.058 0.1579 0.5
Entamoeba histolytica hypothetical protein, conserved 0.058 0.1579 1
Brugia malayi Hhat protein 0.058 0.1579 0.1579
Chlamydia trachomatis dihydrofolate reductase 0.06 0.1637 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0487 0.1308 0.8284
Loa Loa (eye worm) glutamate receptor 0.0174 0.0389 0.0389
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.058 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.2869 0.8299 0.8299
Leishmania major glycerol uptake protein, putative 0.058 0.1579 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0503 0.1355 0.1355
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0792 0.2203 0.2203
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.06 0.1637 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.022 0.022
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0098 0.0165 0.0165
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0169 0.0374 0.0374
Loa Loa (eye worm) hypothetical protein 0.0177 0.0397 0.0397
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.058 0.1579 0.1579
Schistosoma mansoni microtubule-associated protein tau 0.0412 0.1088 0.1088
Loa Loa (eye worm) dihydrofolate reductase 0.06 0.1637 0.1637
Echinococcus multilocularis dihydrofolate reductase 0.06 0.1637 0.1637
Onchocerca volvulus 0.058 0.1579 1
Trypanosoma brucei glycerol uptake protein, putative 0.058 0.1579 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.058 0.1579 0.1579
Echinococcus granulosus o acyltransferase membrane bound domain 0.058 0.1579 0.1579
Echinococcus granulosus lysophospholipid acyltransferase 7 0.058 0.1579 0.1579
Schistosoma mansoni dihydrofolate reductase 0.06 0.1637 0.1637
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0056 0.0042 0.0042
Trichomonas vaginalis transmembrane protein nessy, putative 0.058 0.1579 0.5
Onchocerca volvulus Poor gastrulation protein homolog 0.0072 0.0089 0.0562
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.058 0.1579 0.1579
Echinococcus multilocularis sodium channel protein 0.0044 0.0007 0.0007
Echinococcus granulosus metabotropic glutamate receptor 5 0.0545 0.1477 0.1477
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0056 0.0042 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0021 0.0021
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.06 0.1637 1
Trypanosoma brucei glycerol uptake protein, putative 0.058 0.1579 1
Schistosoma mansoni hypothetical protein 0.0072 0.0089 0.0089
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0401 0.1055 0.1055
Brugia malayi Metabotropic glutamate receptor precursor. 0.0443 0.1177 0.1177
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0056 0.0042 0.0042
Trypanosoma cruzi glycerol uptake protein, putative 0.058 0.1579 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.058 0.1579 0.1579
Echinococcus granulosus o acyltransferase membrane bound domain 0.058 0.1579 0.1579
Brugia malayi latrophilin 2 splice variant baaae 0.0121 0.0233 0.0233
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.3449 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0021 0.0021
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0044 0.0007 0.0042
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0072 0.0089 0.0562
Toxoplasma gondii hypothetical protein 0.058 0.1579 0.0312
Brugia malayi MBOAT family protein 0.058 0.1579 0.1579
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.058 0.1579 0.1579
Leishmania major glycerol uptake protein, putative 0.058 0.1579 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0371 0.0966 0.0966
Trichomonas vaginalis porcupine, putative 0.058 0.1579 0.5
Echinococcus granulosus membrane bound acyltransferase:hhat 0.058 0.1579 0.1579
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.058 0.1579 0.1579
Loa Loa (eye worm) diacylglycerol acyltransferase 0.3449 1 1
Brugia malayi Receptor family ligand binding region containing protein 0.0113 0.0211 0.0211
Brugia malayi Calcitonin receptor-like protein seb-1 0.0177 0.0397 0.0397
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0113 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.058 0.1579 0.1579
Schistosoma mansoni metabotropic glutamate receptor 0.0216 0.0511 0.0511
Loa Loa (eye worm) latrophilin receptor protein 2 0.0056 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0056 0.0042 0.0042
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0545 0.1477 0.1477
Loa Loa (eye worm) hypothetical protein 0.058 0.1579 0.1579

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = 16 % The compound was tested for anti-coccidial activity in chicken against E. acervulina (DP-761) measured at dose 100 (ppm in diet) ChEMBL. 1895303
Reduction (functional) = 34 % The compound was tested for anti-coccidial activity in chicken against E. praecox (DP-785) measured at dose 100 (ppm in diet) ChEMBL. 1895303
Reduction (functional) = 74 % The compound was tested for anti-coccidial activity in chicken against E. hagani (DP-786) measured at dose 100 (ppm in diet) ChEMBL. 1895303
Reduction (functional) = 80 % Anticoccidal activity in chicken against Eimeria acervulina. ChEMBL. 1895303
Reduction (functional) = 80 % Anticoccidal activity in chicken against E. tenella ChEMBL. 1895303
Reduction (functional) = 100 % The compound was tested for anti-coccidial activity in chicken against E. tenella (DP-761) measured at dose 100 (ppm in diet) ChEMBL. 1895303
Reduction (functional) = 100 % The compound was tested for anti-coccidial activity in chicken against E. maxima (DP-776) measured at dose 100 (ppm in diet) ChEMBL. 1895303
Reduction (functional) = 100 % The compound was tested for anti-coccidial activity in chicken against E. brunetti (FS-103) measured at dose 100 (ppm in diet) ChEMBL. 1895303
Reduction (functional) = 100 % The compound was tested for anti-coccidial activity in chicken against E. mitis (LS-84) measured at dose 100 (ppm in diet) ChEMBL. 1895303

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

1 literature reference was collected for this gene.

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