Detailed information for compound 71989

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 464.553 | Formula: C27H32N2O5
  • H donors: 2 H acceptors: 2 LogP: 3.51 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1ccccc1)CNCCOc1ccc(cc1)OCC(=O)N(Cc1ccccc1)C
  • InChi: 1S/C27H32N2O5/c1-29(19-22-8-4-2-5-9-22)27(31)21-34-26-14-12-25(13-15-26)32-17-16-28-18-23(30)20-33-24-10-6-3-7-11-24/h2-15,23,28,30H,16-21H2,1H3
  • InChiKey: OCVRKDRPZYEKJX-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
Schistosoma mansoni tsg101-related 0.1076 0.8268 1
Echinococcus multilocularis sodium channel protein 0.0078 0.0269 0.0225
Loa Loa (eye worm) carbonic anhydrase 3 0.0129 0.0676 0.0676
Echinococcus granulosus roundabout 2 0.0057 0.0101 0.0101
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Echinococcus granulosus carbonic anhydrase II 0.0129 0.0676 0.0676
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0413 0.2956 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0101 0.0101
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.1376 0.307
Loa Loa (eye worm) hypothetical protein 0.1292 1 1
Leishmania major carbonic anhydrase-like protein 0.0129 0.0676 0.1517
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.1376 0.307
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0129 0.0676 0.0676
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Echinococcus granulosus sodium channel protein 0.0078 0.0269 0.0269
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Echinococcus multilocularis carbonic anhydrase II 0.0129 0.0676 0.0634
Echinococcus granulosus tumor susceptibility gene 101 protein 0.1292 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.016 0.0929 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Schistosoma mansoni tsg101-related 0.1076 0.8268 1
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0879 0.6688 1
Trichomonas vaginalis hypothetical protein 0.0629 0.4688 1
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.1292 1 1
Schistosoma mansoni nephrin 0.005 0.0045 0.0054
Brugia malayi Immunoglobulin I-set domain containing protein 0.0356 0.2498 0.1954
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0343 0.2397 0.2362
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0413 0.2956 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0129 0.0676 0.0818
Echinococcus granulosus fibroblast growth factor receptor 4 0.0343 0.2397 0.2397
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Schistosoma mansoni tsg101-related 0.0879 0.6688 0.8089
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0343 0.2397 0.2397
Echinococcus granulosus neuroglian 0.005 0.0045 0.0045
Echinococcus granulosus twitchin 0.005 0.0045 0.0045
Schistosoma mansoni tyrosine kinase 0.0343 0.2397 0.2899
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Loa Loa (eye worm) TK protein kinase 0.0356 0.2498 0.2498
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0192 0.1184 0.1184
Brugia malayi Immunoglobulin I-set domain containing protein 0.0192 0.1184 0.0544
Loa Loa (eye worm) hypothetical protein 0.0057 0.0101 0.0101
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0129 0.0676 0.0818
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Echinococcus multilocularis roundabout 2 0.0057 0.0101 0.0056
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0216 0.1376 0.307
Leishmania major hypothetical protein, conserved 0.0413 0.2956 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0078 0.0269 0.0269
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0343 0.2397 0.2362

Activities

Activity type Activity value Assay description Source Reference
GDP ED50 (binding) = 8.6 mg kg-1 Inhibition of GDP binding against beta-3 adrenergic receptor in brown adipose tissue (BAT) mitochondria of rats after peroral administration (Dose necessary to produce 50% of the isoprenaline effect). ChEMBL. 1350310
GDP ED50 (binding) = 8.6 mg kg-1 Inhibition of GDP binding against beta-3 adrenergic receptor in brown adipose tissue (BAT) mitochondria of rats after peroral administration (Dose necessary to produce 50% of the isoprenaline effect). ChEMBL. 1350310

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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