Detailed information for compound 993138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.317 | Formula: C18H16O5
  • H donors: 3 H acceptors: 4 LogP: 4.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(O)c2c(c1c1cc(O)cc(=O)o1)cccc2O
  • InChi: 1S/C18H16O5/c1-2-4-10-7-14(21)18-12(5-3-6-13(18)20)17(10)15-8-11(19)9-16(22)23-15/h3,5-9,19-21H,2,4H2,1H3
  • InChiKey: XGGZRXUATHGLQU-UHFFFAOYSA-N  


Substructure search Similarity search

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 tar DNA binding protein 0.0195 0.2711 1
Brugia malayi Latrophilin receptor protein 2 0.0147 0.1867 0.1867
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0119 0.0119
Brugia malayi hypothetical protein 0.005 0.0156 0.0156
Mycobacterium ulcerans glutaminase 0.0276 0.4147 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0608 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.0119 0.044
Loa Loa (eye worm) glutaminase 0.0276 0.4147 0.4147
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0156 1
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0156 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0465 0.7479 0.7479
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0156 1
Brugia malayi TAR-binding protein 0.0195 0.2711 0.2711
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0156 1
Loa Loa (eye worm) RNA binding protein 0.0195 0.2711 0.2711
Schistosoma mansoni glutaminase 0.0276 0.4147 0.8496
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.2711 0.2711
Brugia malayi latrophilin 2 splice variant baaae 0.0318 0.4881 0.4881
Echinococcus granulosus tar DNA binding protein 0.0195 0.2711 1
Leishmania major hypothetical protein, conserved 0.005 0.0156 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.0119 0.5
Schistosoma mansoni hypothetical protein 0.0147 0.1867 0.3824
Schistosoma mansoni hypothetical protein 0.0318 0.4881 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0465 0.7479 0.7479
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0147 0.1867 0.6885
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2711 0.5554
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.2711 0.2711
Brugia malayi glutaminase DH11.1 0.0276 0.4147 0.4147
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.0119 0.044
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0156 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0119 0.044
Schistosoma mansoni eyes absent homolog 0.0089 0.0841 0.1724
Echinococcus granulosus GPCR family 2 0.0147 0.1867 0.6885
Loa Loa (eye worm) latrophilin receptor protein 2 0.0147 0.1867 0.1867
Loa Loa (eye worm) glutaminase 2 0.0276 0.4147 0.4147
Schistosoma mansoni hypothetical protein 0.0147 0.1867 0.3824
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2711 0.5554
Loa Loa (eye worm) hypothetical protein 0.0465 0.7479 0.7479
Echinococcus multilocularis GPCR, family 2 0.0147 0.1867 0.6885
Loa Loa (eye worm) TAR-binding protein 0.0195 0.2711 0.2711
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2711 0.5554
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0119 0.044
Brugia malayi isocitrate dehydrogenase 0.0048 0.0119 0.0119
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0147 0.1867 0.6885
Loa Loa (eye worm) hypothetical protein 0.0318 0.4881 0.4881
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0156 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.1867 0.1867
Brugia malayi hypothetical protein 0.0089 0.0841 0.0841
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0465 0.7479 0.7479
Trichomonas vaginalis glutaminase, putative 0.0276 0.4147 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.0119 0.044
Loa Loa (eye worm) hypothetical protein 0.0089 0.0841 0.0841
Brugia malayi RNA binding protein 0.0195 0.2711 0.2711
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0048 0.0119 0.0244
Loa Loa (eye worm) hypothetical protein 0.0089 0.0841 0.0841
Loa Loa (eye worm) transcription factor SMAD2 0.0608 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0119 0.044
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0147 0.1867 0.6885
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2711 0.5554
Loa Loa (eye worm) hypothetical protein 0.005 0.0156 0.0156
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0156 1
Schistosoma mansoni hypothetical protein 0.0147 0.1867 0.3824
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0147 0.1867 0.6885
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0147 0.1867 0.3824
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0147 0.1867 0.1867
Schistosoma mansoni tar DNA-binding protein 0.0195 0.2711 0.5554

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 39 uM Inhibition of human recombinant MK2 by ELISA ChEMBL. 16124774

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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