Detailed information for compound 60383

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.492 | Formula: C27H26O6
  • H donors: 0 H acceptors: 1 LogP: 5.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2OC[C@@H]3[C@H](c2cc1OC)C(=O)c1c(O3)c2Cc3cc(oc3Cc2cc1)C(C)C
  • InChi: 1S/C27H26O6/c1-13(2)19-9-15-7-17-14(8-20(15)32-19)5-6-16-26(28)25-18-10-22(29-3)23(30-4)11-21(18)31-12-24(25)33-27(16)17/h5-6,9-11,13,24-25H,7-8,12H2,1-4H3/t24-,25+/m1/s1
  • InChiKey: KHYWDRNRDPVQEL-RPBOFIJWSA-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
Toxoplasma gondii hypothetical protein 0.033 0.1667 0.3857
Loa Loa (eye worm) hypothetical protein 0.0052 0.0234 0.0234
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0148 0.0148
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.033 0.1667 0.1667
Loa Loa (eye worm) oxidoreductase 0.0052 0.0234 0.0234
Leishmania major oxidoreductase-like protein 0.0052 0.0234 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.033 0.1667 0.1667
Echinococcus multilocularis sodium and chloride dependent glycine 0.033 0.1667 0.1667
Brugia malayi hypothetical protein 0.033 0.1667 0.1667
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0165 0.0165
Loa Loa (eye worm) serotonin transporter b 0.1943 1 1
Leishmania major pteridine reductase 1 0.0052 0.0234 0.5
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0052 0.0234 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.001 0.0017 0.0017
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0148 0.0148
Echinococcus granulosus sodium and chloride dependent glycine 0.033 0.1667 0.1667
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0772 0.3951 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0148 0.0148
Trypanosoma brucei pteridine reductase 1 0.0052 0.0234 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.033 0.1667 0.1667
Schistosoma mansoni sodium/chloride dependent transporter 0.033 0.1667 0.1667
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0148 0.0148
Onchocerca volvulus 0.033 0.1667 0.1468
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.3857
Brugia malayi Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.1667
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.033 0.1667 0.1667
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.033 0.1667 0.1667
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0772 0.3951 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0052 0.0234 0.5
Loa Loa (eye worm) norepinephrine transporter 0.1943 1 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0772 0.3951 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.033 0.1667 0.1667
Onchocerca volvulus 0.033 0.1667 0.1468
Trypanosoma brucei oxidoreductase-like protein 0.0052 0.0234 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.033 0.1667 0.1667
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.033 0.1667 0.1667
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.3857
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0234 0.0234
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.1667
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.001 0.0017 0.0017
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1943 1 1
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Brugia malayi Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.1667
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0772 0.3951 1
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Echinococcus multilocularis voltage gated potassium channel 0.001 0.0017 0.0017
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.033 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Echinococcus granulosus serotonin transporter 0.1943 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.033 0.1667 0.1667
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.033 0.1667 0.1667
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0052 0.0234 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0772 0.3951 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0052 0.0234 0.5
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0017 0.0017
Treponema pallidum sodium- and chloride- dependent transporter 0.1943 1 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.033 0.1667 0.1667
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.033 0.1667 0.1667
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0052 0.0234 0.5
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0772 0.3951 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0052 0.0234 0.5
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0052 0.0234 0.0234
Schistosoma mansoni sodium/chloride dependent transporter 0.033 0.1667 0.1667
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0052 0.0234 0.0234
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.3857
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0052 0.0234 0.0234
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.033 0.1667 0.3857
Plasmodium vivax hypothetical protein, conserved 0.033 0.1667 0.3857
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.1943 1 1
Onchocerca volvulus 0.033 0.1667 0.1468
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0136 0.0343
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0136 0.0343
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0772 0.3951 1
Plasmodium vivax amine transporter, putative 0.033 0.1667 0.3857
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.033 0.1667 0.1667
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0017 0.0017
Trichomonas vaginalis hypothetical protein 0.0772 0.3951 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0772 0.3951 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.001 0.0017 0.0017
Schistosoma mansoni sodium/chloride dependent transporter 0.1943 1 1
Plasmodium falciparum transporter, putative 0.033 0.1667 0.3857
Loa Loa (eye worm) retinol dehydrogenase 12 0.0052 0.0234 0.0234
Echinococcus multilocularis serotonin transporter 0.1943 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.033 0.1667 0.1667
Loa Loa (eye worm) solute carrier family 6 member 4 0.1943 1 1
Onchocerca volvulus 0.1943 1 1
Toxoplasma gondii hypothetical protein 0.033 0.1667 0.3857
Echinococcus granulosus voltage gated potassium channel 0.001 0.0017 0.0017
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0052 0.0234 0.5
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.033 0.1667 0.1667
Schistosoma mansoni dihydropteridine reductase 0.0052 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.1943 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0052 0.0234 0.0234
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.033 0.1667 0.1667
Brugia malayi Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.1667
Schistosoma mansoni sodium-dependent amino acid transporter 0.033 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.033 0.1667 0.1667
Plasmodium falciparum amino acid transporter, putative 0.033 0.1667 0.3857
Loa Loa (eye worm) hypothetical protein 0.0031 0.0123 0.0123
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0052 0.0234 0.0234
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.033 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.1943 1 1
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0052 0.0234 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.033 0.1667 0.1667

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.000000002 M Inhibition of NADH dehydrogenase in blowfly flight-muscle submitochondrial preparation ChEMBL. No reference
Relative activity (binding) = 75 % Relative activity against blowfly flight muscle submitochondrial NADH dehydrogenase compared to rotenone ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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