Detailed information for compound 1005081

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.386 | Formula: C17H26O4
  • H donors: 1 H acceptors: 1 LogP: 3.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(c1ccc(c(c1)OC)OC1CCOCC1)O
  • InChi: 1S/C17H26O4/c1-3-4-5-15(18)13-6-7-16(17(12-13)19-2)21-14-8-10-20-11-9-14/h6-7,12,14-15,18H,3-5,8-11H2,1-2H3
  • InChiKey: CTCZZVYCDVLWDQ-UHFFFAOYSA-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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0364 0.0946
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0017 0.0007 0.0003
Loa Loa (eye worm) hypothetical protein 0.0069 0.0685 0.1781
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0004 0.0001
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0694 0.0815
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0017 0.0007 0.0018
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0012 0.0032
Mycobacterium leprae Probable pyruvate kinase PykA 0.0032 0.0208 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0087 0.1983
Schistosoma mansoni ap endonuclease 0.0018 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.007 0.0694 0.4122
Echinococcus granulosus expressed conserved protein 0.0131 0.1486 0.1749
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0242 0.0239
Brugia malayi Bromodomain containing protein 0.0074 0.0739 0.1922
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0087 0.4165
Brugia malayi RNA binding protein 0.0314 0.3847 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0074 0.007
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0025 0.1197
Loa Loa (eye worm) RNA binding protein 0.0314 0.3847 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0025 0.0267
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0087 0.1983
Loa Loa (eye worm) hypothetical protein 0.015 0.1731 0.4499
Schistosoma mansoni hypothetical protein 0.002 0.005 0.0055
Mycobacterium ulcerans pyruvate kinase 0.0032 0.0208 0.5172
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0415 0.1078
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0004 0.0001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0244 0.024
Echinococcus multilocularis tumor protein p63 0.0394 0.4891 0.4889
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0144 0.1648 0.1941
Echinococcus granulosus survival motor neuron protein 1 0.0276 0.3359 0.396
Brugia malayi PAS domain containing protein 0.0063 0.0604 0.1569
Echinococcus multilocularis zinc finger protein 0.0019 0.0036 0.0033
Plasmodium vivax ataxin-2 like protein, putative 0.0078 0.0801 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0087 0.4165
Loa Loa (eye worm) hypothetical protein 0.0038 0.0275 0.0714
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0025 0.0311
Loa Loa (eye worm) hypothetical protein 0.012 0.1338 0.3477
Brugia malayi TAR-binding protein 0.0314 0.3847 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0087 0.038
Loa Loa (eye worm) hypothetical protein 0.0119 0.1331 0.3459
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0004 0.0001
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0208 0.0833
Echinococcus multilocularis transfer RNA-Lys 0.0047 0.0392 0.0388
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0029
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0208 0.2595
Entamoeba histolytica hypothetical protein 0.007 0.0694 0.4122
Echinococcus granulosus tumor protein p63 0.0394 0.4891 0.5767
Echinococcus granulosus muscleblind protein 0.015 0.1731 0.2038
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0087 0.0225
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0004 0.0001
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0087 0.3835
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0004 0.0001
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.021
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0144 0.1648 1
Entamoeba histolytica hypothetical protein 0.007 0.0694 0.4122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0364 0.0425
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0208 0.0833
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.0801 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0025 0.0311
Schistosoma mansoni zinc finger protein 0.0019 0.0036 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0314 0.3847 0.4535
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0025 0.0267
Chlamydia trachomatis pyruvate kinase 0.0032 0.0208 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0415 0.1078
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0694 0.0815
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0087 0.038
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0025 0.1043
Plasmodium falciparum pyruvate kinase 0.0032 0.0208 0.2562
Leishmania major hypothetical protein, conserved 0.0078 0.0801 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0087 0.0225
Loa Loa (eye worm) hypothetical protein 0.0136 0.1543 0.401
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0087 0.1983
Leishmania major pyruvate kinase 0.0032 0.0208 0.2595
Schistosoma mansoni tar DNA-binding protein 0.0314 0.3847 0.4535
Echinococcus granulosus zinc finger protein 0.0019 0.0036 0.0039
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.8478 0.8478
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0029
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0208 0.054
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0087 0.1081
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0025 0.5
Schistosoma mansoni hypothetical protein 0.0336 0.4141 0.4882
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0801 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0329 0.0855
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0011 0.0535
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0087 0.1983
Schistosoma mansoni tar DNA-binding protein 0.0314 0.3847 0.4535
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0017 0.0007 0.0004
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0087 0.0225
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0545 0.0542
Mycobacterium ulcerans hypothetical protein 0.0023 0.0087 0.1983
Echinococcus multilocularis geminin 0.0336 0.4141 0.4139
Schistosoma mansoni single-minded 0.0063 0.0604 0.0708
Schistosoma mansoni hypothetical protein 0.0033 0.0216 0.0251
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0535 0.0627
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0025 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0415 0.1078
Schistosoma mansoni pyruvate kinase 0.0032 0.0208 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0364 0.0425
Brugia malayi hypothetical protein 0.0276 0.3359 0.8732
Brugia malayi bHLH-PAS transcription factor 0.0047 0.0392 0.1018
Echinococcus multilocularis tar DNA binding protein 0.0314 0.3847 0.3845
Echinococcus granulosus pyruvate kinase 0.0032 0.0208 0.0241
Loa Loa (eye worm) hypothetical protein 0.004 0.0305 0.0792
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0208 0.054
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0081 0.021
Schistosoma mansoni pyruvate kinase 0.0032 0.0208 0.0241
Brugia malayi RNA recognition motif domain containing protein 0.0314 0.3847 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0801 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0364 0.0425
Onchocerca volvulus 0.0136 0.1543 1
Brugia malayi hypothetical protein 0.0078 0.0801 0.2082
Giardia lamblia Pyruvate kinase 0.0032 0.0208 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0694 0.0691
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0801 1
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0208 0.054
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0081 0.0345
Echinococcus multilocularis survival motor neuron protein 1 0.0276 0.3359 0.3357
Loa Loa (eye worm) hypothetical protein 0.0276 0.3359 0.8732
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0029
Echinococcus granulosus microtubule associated protein 2 0.0671 0.8478 1
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0208 0.2562
Echinococcus granulosus tar DNA binding protein 0.0314 0.3847 0.4535
Loa Loa (eye worm) TAR-binding protein 0.0314 0.3847 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0025 0.0021
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0011 0.0095
Schistosoma mansoni aryl hydrocarbon receptor 0.0183 0.2153 0.2537
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0364 0.0425
Schistosoma mansoni hypothetical protein 0.0336 0.4141 0.4882
Onchocerca volvulus 0.0056 0.0516 0.2952
Schistosoma mansoni ap endonuclease 0.0018 0.0025 0.0025
Echinococcus multilocularis muscleblind protein 0.015 0.1731 0.1728
Onchocerca volvulus 0.0047 0.0399 0.2144
Loa Loa (eye worm) hypothetical protein 0.0032 0.0208 0.054
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0087 0.0225
Brugia malayi hypothetical protein 0.0051 0.0442 0.1149
Leishmania major pyruvate kinase 0.0032 0.0208 0.2595
Loa Loa (eye worm) PHD-finger family protein 0.002 0.005 0.0129
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0087 0.1983
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0025 0.0699
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0025 0.0065
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0025 0.1197
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0208 0.2595
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0242 0.0282
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0087 0.038
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0087 0.1081
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0801 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0025 0.0025
Echinococcus multilocularis pyruvate kinase 0.0032 0.0208 0.0204
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0087 0.1983
Loa Loa (eye worm) hypothetical protein 0.0033 0.0216 0.0562
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0208 0.054
Mycobacterium ulcerans putative regulatory protein 0.0047 0.0392 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0364 0.0425
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0216 0.0562
Echinococcus granulosus sentrin specific protease 7 0.0144 0.1648 0.1941
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0208 1
Echinococcus granulosus single minded 2 0.0047 0.0392 0.0458
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0004 0.0001
Echinococcus granulosus aryl hydrocarbon receptor 0.0136 0.155 0.1824
Brugia malayi Muscleblind-like protein 0.015 0.1731 0.4499
Loa Loa (eye worm) hypothetical protein 0.0058 0.0535 0.1391
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.8478 1
Schistosoma mansoni tar DNA-binding protein 0.0314 0.3847 0.4535
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0025 0.0361
Echinococcus multilocularis sentrin specific protease 7 0.0144 0.1648 0.1645
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0208 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.0208 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0087 0.1983
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0545 0.0639
Echinococcus multilocularis expressed conserved protein 0.0131 0.1486 0.1483
Echinococcus granulosus pyruvate kinase 0.0032 0.0208 0.0241
Loa Loa (eye worm) hypothetical protein 0.0023 0.0087 0.0225
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0029
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0074 0.0083
Echinococcus multilocularis muscleblind protein 1 0.015 0.1731 0.1728
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0516 0.1343
Loa Loa (eye worm) hypothetical protein 0.0078 0.0801 0.2082
Brugia malayi Bromodomain containing protein 0.0038 0.0274 0.0712
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0208 0.2358
Toxoplasma gondii exonuclease III APE 0.0018 0.0025 0.0267
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0011 0.0095
Schistosoma mansoni survival motor neuron protein 0.0056 0.0516 0.0605
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0314 0.3847 1
Schistosoma mansoni bromodomain containing protein 0.0062 0.0591 0.0693
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0415 0.1078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0364 0.0946
Schistosoma mansoni hypothetical protein 0.0056 0.0516 0.0605
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.0801 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.0011
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0208 0.0833
Brugia malayi hypothetical protein 0.007 0.0694 0.1804
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0208 0.2562
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0364 0.0361
Schistosoma mansoni hypothetical protein 0.007 0.0694 0.0815
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0208 0.054
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0004 0.0001
Echinococcus multilocularis aryl hydrocarbon receptor 0.0136 0.155 0.1547
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0364 0.0361
Schistosoma mansoni tar DNA-binding protein 0.0314 0.3847 0.4535
Echinococcus multilocularis pyruvate kinase 0.0032 0.0208 0.0204
Schistosoma mansoni hypothetical protein 0.0035 0.0242 0.0282
Brugia malayi PHD-finger family protein 0.0024 0.0104 0.027
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0244 0.0283
Loa Loa (eye worm) hypothetical protein 0.015 0.1731 0.4499
Entamoeba histolytica hypothetical protein 0.007 0.0694 0.4122
Echinococcus multilocularis pyruvate kinase 0.0026 0.0119 0.0116
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0004 0.0001
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0074 0.0083
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0025 0.0311
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0119 0.1331 0.3459
Onchocerca volvulus 0.0058 0.0535 0.3079
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0087 0.1081
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0208 0.2358
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0025 0.0065
Loa Loa (eye worm) hypothetical protein 0.0023 0.0087 0.0225
Echinococcus granulosus geminin 0.0336 0.4141 0.4882
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0087 0.3835

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.27 Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liquid scintillation counting ChEMBL. 19049349
IC50 (binding) > 100 uM Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liquid scintillation counting ChEMBL. 19049349

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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