Detailed information for compound 163702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.448 | Formula: C23H26O7
  • H donors: 1 H acceptors: 3 LogP: 2.93 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)CC(=O)OC/C(=C\COCc1ccccc1)/COC(=O)C
  • InChi: 1S/C23H26O7/c1-17(24)29-15-20(10-11-28-14-18-6-4-3-5-7-18)16-30-23(26)13-19-8-9-21(25)22(12-19)27-2/h3-10,12,25H,11,13-16H2,1-2H3/b20-10-
  • InChiKey: WHHHPGQYADCPQJ-JMIUGGIZSA-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
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0021 0.0026 0.0103
Loa Loa (eye worm) hypothetical protein 0.017 0.1251 0.5014
Schistosoma mansoni steroid hormone receptor ad4bp 0.0322 0.2495 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0026 0.0098
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0322 0.2495 1
Brugia malayi nuclear hormone receptor 0.0322 0.2495 0.3451
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0683 0.2737
Brugia malayi hypothetical protein 0.017 0.1251 0.173
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0322 0.2495 0.3451
Schistosoma mansoni retinoid-x-receptor (RXR) 0.017 0.1251 0.5014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0322 0.2495 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0021 0.0026 0.0098
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0021 0.0026 0.0098
Brugia malayi ecdysteroid receptor 0.0322 0.2495 0.3451
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0152 0.1102 0.4416
Brugia malayi nuclear hormone receptor 0.0152 0.1102 0.1524
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0017 0 0.5
Brugia malayi nuclear receptor RXR 0.0152 0.1102 0.1524
Schistosoma mansoni thyroid hormone receptor 0.0322 0.2495 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0322 0.2495 0.3451
Schistosoma mansoni nuclear hormone receptor 0.0322 0.2495 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0322 0.2495 0.3451
Brugia malayi hypothetical protein 0.0152 0.1102 0.1524
Echinococcus multilocularis 0.0021 0.0026 0.0103
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0476
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0322 0.2495 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0021 0.0026 0.0098
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0119 0.0476
Brugia malayi Nuclear hormone receptor E75 0.0152 0.1102 0.1524
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0119 0.0164
Brugia malayi SWIRM domain containing protein 0.0021 0.0026 0.0035
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0322 0.2495 1
Brugia malayi Nuclear hormone receptor E75 0.0152 0.1102 0.1524
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0322 0.2495 0.3451
Brugia malayi nuclear receptor NHR-67 0.0152 0.1102 0.1524
Echinococcus granulosus ecdysone induced protein 78C 0.0322 0.2495 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0322 0.2495 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0322 0.2495 1
Brugia malayi nuclear receptor NHR-88 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.017 0.1251 0.5014
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0322 0.2495 1
Brugia malayi Nuclear hormone receptor-like 1 0.017 0.1251 0.173
Schistosoma mansoni amine oxidase 0.0021 0.0026 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0593 0.2378
Schistosoma mansoni hypothetical protein 0.0069 0.0422 0.169
Schistosoma mansoni amine oxidase 0.0021 0.0026 0.0103
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0593 0.2378
Brugia malayi hypothetical protein 0.0152 0.1102 0.1524
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0322 0.2495 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0021 0.0026 0.0103
Brugia malayi photoreceptor-specific nuclear receptor 0.0322 0.2495 0.3451
Entamoeba histolytica tubulin alpha chain, putative 0.0017 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0017 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0152 0.1102 0.4416
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0322 0.2495 0.3451
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0593 0.2378
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0152 0.1102 0.4416
Schistosoma mansoni nuclear hormone receptor 0.0152 0.1102 0.4416
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0322 0.2495 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0322 0.2495 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0322 0.2495 1
Brugia malayi nuclear receptor NHR-88 0.0152 0.1102 0.1524
Brugia malayi nuclear receptor RXR 0.017 0.1251 0.173
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0476
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Schistosoma mansoni nuclear receptor 0.0152 0.1102 0.4416
Plasmodium vivax telomerase reverse transcriptase, putative 0.0339 0.2628 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0339 0.2628 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0152 0.1102 0.1079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0322 0.2495 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0339 0.2628 1
Brugia malayi hypothetical protein 0.0021 0.0026 0.0035
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.017 0.1251 0.173
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0026 0.0103
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0152 0.1102 0.4416
Brugia malayi Telomerase reverse transcriptase 0.0901 0.723 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus multilocularis GPCR, family 2 0.0032 0.0119 0.0476
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0026 0.0098
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0476
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0103
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0322 0.2495 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0593 0.2378
Schistosoma mansoni coup transcription factor 0.0322 0.2495 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0683 0.0944
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0593 0.2378
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.017 0.1251 0.5014
Trichomonas vaginalis tubulin epsilon chain, putative 0.0017 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0291 0.2241 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0322 0.2495 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0152 0.1102 0.4416
Brugia malayi Nuclear hormone receptor-like 1 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus granulosus thyroid hormone receptor alpha 0.0152 0.1102 0.4416
Loa Loa (eye worm) hypothetical protein 0.017 0.1251 0.5014
Schistosoma mansoni nuclear receptor nhr-48 0.0152 0.1102 0.4416
Brugia malayi nuclear hormone receptor family member odr-7 0.0152 0.1102 0.1524
Plasmodium falciparum protoporphyrinogen oxidase 0.0021 0.0026 0.0098
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0119 0.0476
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0026 0.0103
Onchocerca volvulus 0.0322 0.2495 0.2475
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0152 0.1102 0.4416
Loa Loa (eye worm) hypothetical protein 0.017 0.1251 0.5014
Schistosoma mansoni retinoic acid receptor RXR 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus multilocularis ecdysone induced protein 78C 0.0322 0.2495 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0322 0.2495 0.3451
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0103
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0152 0.1102 0.4416
Onchocerca volvulus 0.0152 0.1102 0.1079
Brugia malayi orphan nuclear receptor NR2E1 0.0152 0.1102 0.1524
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Brugia malayi tailless protein 0.0152 0.1102 0.1524
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0119 0.0476
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Entamoeba histolytica tubulin alpha-1 chain 0.0017 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0119 0.0476
Brugia malayi ecdysone receptor 0.0152 0.1102 0.1524
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0103
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0291 0.2241 1
Leishmania major UDP-galactopyranose mutase 0.0021 0.0026 0.0098
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0021 0.0026 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0593 0.2378
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.017 0.1251 0.5014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0322 0.2495 1
Echinococcus granulosus GPCR family 2 0.0032 0.0119 0.0476
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0593 0.0821
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0119 0.0476
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0119 0.0164
Echinococcus granulosus Nuclear hormone receptor HR96 0.0152 0.1102 0.4416
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0322 0.2495 0.3451
Brugia malayi amine oxidase, flavin-containing family protein 0.0021 0.0026 0.0035
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0322 0.2495 0.3451
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0021 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.1251 0.5014
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0271 0.2074 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0422 0.0583
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0322 0.2495 0.2475
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.017 0.1251 0.5014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0322 0.2495 1
Giardia lamblia Telomerase catalytic subunit 0.0339 0.2628 1
Onchocerca volvulus 0.0152 0.1102 0.1079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0152 0.1102 0.4416
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0322 0.2495 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0322 0.2495 1
Echinococcus granulosus nuclear receptor nhr 48 0.0152 0.1102 0.4416
Chlamydia trachomatis protoporphyrinogen oxidase 0.0021 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0103
Brugia malayi Steroid receptor seven-up type 2 0.0322 0.2495 0.3451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0322 0.2495 1
Schistosoma mansoni nuclear hormone receptor 0.0152 0.1102 0.4416
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus granulosus FTZ F1 alpha 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0322 0.2495 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0683 0.0944
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0322 0.2495 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.017 0.1251 0.5014
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0152 0.1102 0.1524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0476
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.1102 0.4416
Loa Loa (eye worm) hypothetical protein 0.0069 0.0422 0.169
Echinococcus multilocularis protoporphyrinogen oxidase 0.0021 0.0026 0.0103
Loa Loa (eye worm) hypothetical protein 0.0101 0.0683 0.2737
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0322 0.2495 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0593 0.2378
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0339 0.2628 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0152 0.1102 0.4416
Plasmodium falciparum telomerase reverse transcriptase 0.0339 0.2628 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0152 0.1102 0.4416
Loa Loa (eye worm) hypothetical protein 0.0032 0.0119 0.0476
Trypanosoma brucei telomerase reverse transcriptase 0.0339 0.2628 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0322 0.2495 0.2475
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0152 0.1102 0.4416
Echinococcus granulosus Nuclear hormone receptor HR96 0.0152 0.1102 0.4416
Schistosoma mansoni zinc finger protein 0.0152 0.1102 0.4416
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0322 0.2495 1
Schistosoma mansoni thyroid hormone receptor 0.0322 0.2495 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0322 0.2495 0.3451
Loa Loa (eye worm) nuclear hormone receptor 0.0152 0.1102 0.4416
Leishmania major telomerase reverse transcriptase, putative 0.0339 0.2628 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0322 0.2495 1
Loa Loa (eye worm) DR-78 0.0152 0.1102 0.4416
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0322 0.2495 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0103
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0021 0.0026 0.0098
Brugia malayi hypothetical protein 0.017 0.1251 0.173
Brugia malayi conserved hypotetical protein 0.0152 0.1102 0.1524
Schistosoma mansoni RAR-like nuclear receptor 0.0322 0.2495 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0021 0.0026 0.0098
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0593 0.2378
Toxoplasma gondii histone lysine-specific demethylase 0.0021 0.0026 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Onchocerca volvulus Bile acid receptor homolog 0.0322 0.2495 0.2475
Loa Loa (eye worm) steroid hormone receptor 0.0322 0.2495 1
Brugia malayi steroid hormone receptor 0.0322 0.2495 0.3451
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0103
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0026 0.0098
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0322 0.2495 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0152 0.1102 0.1079
Brugia malayi nuclear hormone receptor family member nhr-6 0.0152 0.1102 0.1524
Loa Loa (eye worm) hypothetical protein 0.0322 0.2495 1
Schistosoma mansoni nuclear receptor 0.0152 0.1102 0.4416
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0026 0.0098
Echinococcus multilocularis FTZ F1 alpha 0.0322 0.2495 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0152 0.1102 0.4416

Activities

Activity type Activity value Assay description Source Reference
Cation influx (functional) Cation influx relative to capsaicin (CAP) in cultured neonatal rat dorsal root ganglia (No response) ChEMBL. 10571146
Cation influx (functional) 0 Cation influx relative to capsaicin (CAP) in cultured neonatal rat dorsal root ganglia (No response) ChEMBL. 10571146
Ki (binding) > 100 uM In vitro binding affinity towards vanilloid receptor by [3H]-RTX displacement. ChEMBL. 10571146
Ki (binding) > 100 uM In vitro binding affinity towards vanilloid receptor by [3H]-RTX displacement. ChEMBL. 10571146

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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