Detailed information for compound 1515474

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.425 | Formula: C18H30O10
  • H donors: 5 H acceptors: 6 LogP: -1.22 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCO[C@H]([C@@H]1C(=O)O[C@@H]1[C@@H](C=C(C)C)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
  • InChi: 1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1
  • InChiKey: OYRNAQRKPVOICQ-JKNURMDQSA-N  

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0073 0.4659 0.4659
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0034 0.1322 0.0958
Loa Loa (eye worm) GABA receptor subunit 0.0073 0.4659 0.4501
Onchocerca volvulus 0.0073 0.4659 0.1438
Onchocerca volvulus 0.0073 0.4659 0.1438
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0034 0.1322 0.0958
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.7772 1
Brugia malayi hypothetical protein 0.0063 0.3763 0.3578
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0073 0.4659 0.4501
Echinococcus multilocularis nAChR subunit 0.0073 0.4659 0.4436
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 0.3763 0.3578
Echinococcus multilocularis voltage gated potassium channel 0.0034 0.1322 0.0958
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0118 0.843 0.8383
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0023 0.0402 0.0118
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.9349 0.9349
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.4659 0.4659
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0402 0.0402
Schistosoma mansoni nAChR subunit 0.0063 0.3763 0.3763
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0034 0.1322 0.1065
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0118 0.843 0.8383
Loa Loa (eye worm) hypothetical protein 0.0102 0.7108 0.7023
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0063 0.3763 0.3501
Schistosoma mansoni neurotransmitter gated ion channel 0.0063 0.3763 0.3763
Brugia malayi hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) acetylcholine receptor protein 0.0063 0.3763 0.3578
Brugia malayi hypothetical protein 0.0063 0.3763 0.3578
Entamoeba histolytica hypothetical protein 0.0073 0.4659 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0118 0.843 0.8364
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0063 0.3763 0.3501
Schistosoma mansoni neurotransmitter gated ion channel 0.0073 0.4659 0.4659
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0073 0.4659 0.4501
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0063 0.3763 0.3578
Brugia malayi Cyclic-nucleotide gated cation channel 0.0023 0.0402 0.0118
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0402 0.0402
Brugia malayi hypothetical protein 0.0063 0.3763 0.3578
Brugia malayi hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.7772 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 0.3763 0.3578
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.1322 0.1322
Schistosoma mansoni acetylcholine receptor subunit beta 0.0063 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Schistosoma mansoni acetylcholine receptor-related 0.0063 0.3763 0.3763
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0073 0.4659 0.4501
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0063 0.3763 0.3501
Schistosoma mansoni nAChR subunit 0.0063 0.3763 0.3763
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0402 0.0402
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.1322 0.1322
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0118 0.843 0.8364
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0063 0.3763 0.3578
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0063 0.3763 0.3501
Echinococcus granulosus voltage gated potassium channel 0.0034 0.1322 0.0958
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0063 0.3763 0.3501
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0063 0.3763 0.3578
Echinococcus granulosus nAChR subunit 0.0073 0.4659 0.4436
Schistosoma mansoni neurotransmitter gated ion channel 0.0063 0.3763 0.3763
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0402 0.0118
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.9349 0.9349
Loa Loa (eye worm) hypothetical protein 0.0034 0.1322 0.1065
Loa Loa (eye worm) hypothetical protein 0.0073 0.4659 0.4501
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0073 0.4659 0.4501
Loa Loa (eye worm) hypothetical protein 0.0063 0.3763 0.3578
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0402 0.0118
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0063 0.3763 0.3578

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 ug ml-1 Cytotoxicity against human Jurkat T cells after 36 hrs by MTT assay ChEMBL. 21546250

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.