Detailed information for compound 1613351

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.501 | Formula: C28H24N2O4
  • H donors: 2 H acceptors: 2 LogP: 5.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1ccc(cc1)c1ccc(cc1)c1nc2c([nH]1)cccc2O
  • InChi: 1S/C28H24N2O4/c1-32-24-15-21(16-25(33-2)27(24)34-3)19-9-7-17(8-10-19)18-11-13-20(14-12-18)28-29-22-5-4-6-23(31)26(22)30-28/h4-16,31H,1-3H3,(H,29,30)
  • InChiKey: DVBWEBCJKNXBPB-UHFFFAOYSA-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 granulosus CD36 class B scavenger receptor 0.0093 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0093 0.029 0.0267
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0041 0.0053 0.0029
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0037 0.0037
Brugia malayi hypothetical protein 0.0035 0.0024 0.0024
Echinococcus granulosus CD36 class B scavenger receptor 0.0093 0.029 0.029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0037 0.0013
Echinococcus multilocularis lysosome membrane protein 2 0.0093 0.029 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0037 0.0074
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0041 0.0053 0.0053
Echinococcus multilocularis CD36 class B scavenger receptor 0.0093 0.029 0.029
Echinococcus granulosus CD36 class B scavenger receptor 0.0093 0.029 0.029
Brugia malayi Calcitonin receptor-like protein seb-1 0.0041 0.0053 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0037 0.0037
Echinococcus multilocularis CD36 class B scavenger receptor 0.0093 0.029 0.029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0037 0.0037
Echinococcus multilocularis CD36 class B scavenger receptor 0.0093 0.029 0.029
Echinococcus granulosus CD36 class B scavenger receptor 0.0093 0.029 0.029
Echinococcus multilocularis CD36 class B scavenger receptor 0.0093 0.029 0.029
Echinococcus multilocularis CD36 class B scavenger receptor 0.0093 0.029 0.029
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0093 0.029 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0672 0.2963 0.2963
Trichomonas vaginalis serine threonine-protein kinase, putative 0.112 0.5028 0.5
Echinococcus granulosus lysosome membrane protein 2 0.0093 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0041 0.0053 0.0029
Brugia malayi CD36 family protein 0.0093 0.029 0.029
Echinococcus granulosus CD36 class B scavenger receptor 0.0093 0.029 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0037 0.0074
Schistosoma mansoni CD36-like class B scavenger receptor 0.0093 0.029 0.0574
Schistosoma mansoni cd36 antigen 0.0035 0.0024 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.112 0.5028 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1127 0.506 1
Brugia malayi hypothetical protein 0.0035 0.0024 0.0024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0037 0.0037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0037 0.0037
Schistosoma mansoni CD36-like class B scavenger receptor 0.0093 0.029 0.0574
Loa Loa (eye worm) hypothetical protein 0.0093 0.029 0.0267
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0093 0.029 0.0574
Loa Loa (eye worm) hypothetical protein 0.0093 0.029 0.0267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0037 0.0074

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) < 0.1 uM Growth inhibition of human A549 cells by SRB assay ChEMBL. 22361684
GI50 (functional) < 0.1 uM Growth inhibition of human MCF7 cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 0.17 uM Growth inhibition of human A2780 cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 0.17 uM Growth inhibition of human PC3 cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 0.17 uM Growth inhibition of human SiHa cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 0.19 uM Growth inhibition of human HOP62 cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 0.19 uM Growth inhibition of human ZR-75-1 cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 0.19 uM Growth inhibition of human COLO205 cells by SRB assay ChEMBL. 22361684
GI50 (functional) = 2.11 uM Growth inhibition of human KB cells by SRB assay ChEMBL. 22361684

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.

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