Detailed information for compound 268929

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 530.52 | Formula: C27H30O11
  • H donors: 3 H acceptors: 6 LogP: 0.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43C(O2)(C(=O)O1)[C@@]1(C([C@@H]4O)OC(=O)[C@H]1C)O)O)C(C)(C)C
  • InChi: 1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11-,13-,14?,15+,16?,17?,18+,22?,24?,25?,26-,27?/m1/s1
  • InChiKey: YPOMAFCMSAKBRX-HMWBYDIESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cavia porcellus Platelet activating factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Platelet activating factor receptor   342 aa 327 aa 21.7 %
Echinococcus granulosus neuropeptide receptor Platelet activating factor receptor   342 aa 304 aa 23.4 %
Schistosoma mansoni opsin-like receptor Platelet activating factor receptor   342 aa 318 aa 21.7 %
Schistosoma mansoni neuropeptide receptor Platelet activating factor receptor   342 aa 338 aa 24.9 %
Schistosoma mansoni neuropeptide F-like receptor Platelet activating factor receptor   342 aa 325 aa 22.2 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 342 aa 19.6 %
Echinococcus granulosus tachykinin peptides receptor 99D Platelet activating factor receptor   342 aa 314 aa 21.3 %
Echinococcus multilocularis rhodopsin orphan GPCR Platelet activating factor receptor   342 aa 278 aa 16.5 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 321 aa 19.6 %
Schistosoma mansoni peptide (allatostatin)-like receptor Platelet activating factor receptor   342 aa 344 aa 25.6 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 295 aa 21.7 %
Echinococcus multilocularis g-protein coupled receptor Platelet activating factor receptor   342 aa 351 aa 22.5 %
Echinococcus granulosus rhodopsin orphan GPCR Platelet activating factor receptor   342 aa 278 aa 16.5 %
Echinococcus multilocularis allatostatin A receptor Platelet activating factor receptor   342 aa 334 aa 23.4 %
Echinococcus granulosus g-protein coupled receptor Platelet activating factor receptor   342 aa 352 aa 22.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Platelet activating factor receptor   342 aa 340 aa 23.8 %
Echinococcus multilocularis neuropeptide receptor Platelet activating factor receptor   342 aa 303 aa 23.1 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 320 aa 24.7 %
Onchocerca volvulus Cyclin-dependent kinase 20 homolog Platelet activating factor receptor   342 aa 383 aa 23.8 %
Echinococcus granulosus allatostatin A receptor Platelet activating factor receptor   342 aa 334 aa 22.8 %
Loa Loa (eye worm) hypothetical protein Platelet activating factor receptor   342 aa 355 aa 22.5 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 319 aa 21.6 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 394 aa 20.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Platelet activating factor receptor   342 aa 283 aa 20.5 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 300 aa 21.0 %
Schistosoma mansoni neuropeptide receptor Platelet activating factor receptor   342 aa 292 aa 20.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0338 0.1082 0.147
Schistosoma mansoni integrin alpha-ps 0.0823 0.2819 0.4366
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0073 0.0063
Loa Loa (eye worm) glutaminase 2 0.0305 0.0967 0.0957
Loa Loa (eye worm) hypothetical protein 0.005 0.0053 0.0043
Giardia lamblia Neurogenic locus Notch protein precursor 0.0067 0.0114 0.5
Mycobacterium ulcerans glutaminase 0.0305 0.0967 0.5
Schistosoma mansoni integrin beta subunit 0.1222 0.4246 0.6585
Loa Loa (eye worm) hypothetical protein 0.0315 0.1002 0.0993
Echinococcus granulosus fibrillin 1 0.0067 0.0114 0.0113
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.0053 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.0351 0.0341
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0053 0.0059
Loa Loa (eye worm) hypothetical protein 0.1389 0.4843 0.4838
Echinococcus multilocularis fibrillin 2 0.0067 0.0114 0.0113
Brugia malayi EGF-like domain containing protein 0.0067 0.0114 0.0141
Echinococcus granulosus integrin alpha ps 0.0395 0.1286 0.2316
Schistosoma mansoni integrin alpha-ps 0.0429 0.1407 0.2172
Loa Loa (eye worm) hypothetical protein 0.0067 0.0114 0.0103
Giardia lamblia hypothetical protein 0.0067 0.0114 0.5
Giardia lamblia Neurogenic locus notch-like protein 0.0067 0.0114 0.5
Brugia malayi EGF-like domain containing protein 0.0067 0.0114 0.0141
Schistosoma mansoni hypothetical protein 0.0189 0.0551 0.0841
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.0351 0.0341
Leishmania major DNA polymerase eta, putative 0.005 0.0053 1
Schistosoma mansoni hypothetical protein 0.0395 0.1286 0.1983
Brugia malayi Kelch motif family protein 0.0315 0.1002 0.1361
Loa Loa (eye worm) hypothetical protein 0.0395 0.1286 0.1277
Echinococcus granulosus fibrillin 2 0.0067 0.0114 0.0113
Schistosoma mansoni hypothetical protein 0.0189 0.0551 0.0841
Brugia malayi Integrin beta pat-3 precursor 0.2075 0.7299 1
Echinococcus multilocularis integrin beta 2 0.1537 0.5375 1
Giardia lamblia Tenascin precursor 0.0067 0.0114 0.5
Giardia lamblia High cysteine protein 0.0067 0.0114 0.5
Brugia malayi MH2 domain containing protein 0.0133 0.0351 0.0468
Echinococcus granulosus adam 0.0067 0.0114 0.0113
Loa Loa (eye worm) hypothetical protein 0.1013 0.3498 0.3491
Giardia lamblia Tenascin-37 0.0067 0.0114 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0114 0.0103
Echinococcus multilocularis integrin alpha ps 0.0823 0.2819 0.5198
Toxoplasma gondii hypothetical protein 0.0067 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.1441 0.5031 0.5026
Onchocerca volvulus 0.0338 0.1082 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0114 0.0103
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0073 0.0086
Brugia malayi EGF-like domain containing protein 0.0067 0.0114 0.0141
Loa Loa (eye worm) glutaminase 0.0305 0.0967 0.0957
Echinococcus multilocularis adam 0.0067 0.0114 0.0113
Echinococcus multilocularis integrin alpha ps 0.0395 0.1286 0.2316
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0053 1
Echinococcus multilocularis geminin 0.0189 0.0551 0.0936
Loa Loa (eye worm) hypothetical protein 0.0429 0.1407 0.1399
Brugia malayi hypothetical protein 0.0315 0.1002 0.1361
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1389 0.4843 0.663
Giardia lamblia Tenascin-X 0.0067 0.0114 0.5
Echinococcus granulosus geminin 0.0189 0.0551 0.0936
Loa Loa (eye worm) hypothetical protein 0.0067 0.0114 0.0103
Schistosoma mansoni glutaminase 0.0305 0.0967 0.1487
Echinococcus granulosus integrin beta 2 0.1537 0.5375 1
Brugia malayi glutaminase DH11.1 0.0305 0.0967 0.1312
Loa Loa (eye worm) hypothetical protein 0.0338 0.1082 0.1073
Brugia malayi Integrin alpha pat-2 precursor 0.1836 0.6443 0.8825
Schistosoma mansoni DNA polymerase eta 0.005 0.0053 0.0066
Echinococcus multilocularis fibrillin 1 0.0067 0.0114 0.0113
Loa Loa (eye worm) hypothetical protein 0.0056 0.0073 0.0063
Giardia lamblia Tenascin-like 0.0067 0.0114 0.5
Trichomonas vaginalis glutaminase, putative 0.0305 0.0967 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0073 0.0086
Loa Loa (eye worm) integrin beta-2 0.2075 0.7299 0.7296
Brugia malayi EGF-like domain containing protein 0.0067 0.0114 0.0141
Echinococcus granulosus integrin alpha 3 0.1407 0.491 0.9126
Schistosoma mansoni integrin alpha 0.1836 0.6443 1
Giardia lamblia High cysteine protein 0.0067 0.0114 0.5
Echinococcus multilocularis integrin alpha ps 0.0823 0.2819 0.5198
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0315 0.1002 0.0993
Echinococcus granulosus integrin alpha ps 0.0823 0.2819 0.5198
Echinococcus multilocularis integrin alpha 3 0.1407 0.491 0.9126
Echinococcus multilocularis protein jagged 2 0.0067 0.0114 0.0113

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.6 uM Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea pig) transgenic mouse muscle membrane ChEMBL. 12570381
Ki (binding) = 0.6 uM Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea pig) transgenic mouse muscle membrane ChEMBL. 12570381

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

1 literature reference was collected for this gene.

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