Detailed information for compound 1759149

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 630.774 | Formula: C36H46N4O6
  • H donors: 2 H acceptors: 5 LogP: 3.95 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](N1C[C@H](C)[C@H](OCCCC[C@@H](Oc2c(C1=O)cc(cc2)NC(=O)Cc1ccccc1)C)CN(C(=O)c1ccncc1)C)C
  • InChi: 1S/C36H46N4O6/c1-25-22-40(26(2)24-41)36(44)31-21-30(38-34(42)20-28-11-6-5-7-12-28)13-14-32(31)46-27(3)10-8-9-19-45-33(25)23-39(4)35(43)29-15-17-37-18-16-29/h5-7,11-18,21,25-27,33,41H,8-10,19-20,22-24H2,1-4H3,(H,38,42)/t25-,26+,27-,33+/m0/s1
  • InChiKey: RFZBMTMZFIKQEH-LIHQSLCGSA-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
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0058 0.0044 0.0351
Onchocerca volvulus 0.0096 0.126 1
Onchocerca volvulus 0.0096 0.126 1
Echinococcus granulosus tyrosine protein kinase shark 0.0096 0.126 0.126
Brugia malayi protein-tyrosine kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Src42A 0.0096 0.126 0.126
Echinococcus granulosus c src tyrosine kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Src64B 0.0096 0.126 0.126
Onchocerca volvulus 0.0096 0.126 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.126 0.126
Brugia malayi Protein kinase domain containing protein 0.0096 0.126 0.126
Brugia malayi Tyrosine-protein kinase abl-1 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Blk 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Lyn 0.0097 0.1305 0.1305
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0096 0.126 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0096 0.126 0.126
Brugia malayi hypothetical protein 0.0096 0.126 0.126
Brugia malayi SRC-1 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Fyn 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Loa Loa (eye worm) hypothetical protein 0.0096 0.126 0.126
Schistosoma mansoni tyrosine kinase 0.0096 0.126 0.126
Echinococcus multilocularis c src tyrosine kinase 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0096 0.126 0.126
Schistosoma mansoni tyrosine kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0096 0.126 0.126
Schistosoma mansoni protein kinase 0.0369 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0096 0.126 0.126
Brugia malayi Protein kinase domain containing protein 0.0096 0.126 0.126
Loa Loa (eye worm) TK protein kinase 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase shark 0.0096 0.126 0.126
Echinococcus granulosus tyrosine kinase 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Fyn 0.0096 0.126 0.126
Brugia malayi Protein kinase domain containing protein 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Blk 0.0096 0.126 0.126
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0096 0.126 0.126
Schistosoma mansoni tyrosine kinase 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0096 0.126 0.126
Onchocerca volvulus 0.0096 0.126 1
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0096 0.126 0.126
Loa Loa (eye worm) SRC-1 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Srms 0.0096 0.126 0.126
Entamoeba histolytica protein kinase, putative 0.0058 0.0044 0.0351
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0096 0.126 0.126
Schistosoma mansoni tyrosine kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine kinase 0.0096 0.126 0.126
Brugia malayi Protein kinase domain containing protein 0.0096 0.126 0.126
Brugia malayi SH2 domain containing protein 0.0096 0.126 0.126
Echinococcus granulosus dual specificity mitogen activated protein 0.0369 1 1
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.0369 1 1
Brugia malayi Protein kinase domain containing protein 0.0096 0.126 0.126
Loa Loa (eye worm) TK/ABL protein kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase ABL1 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Schistosoma mansoni tyrosine kinase 0.0096 0.126 0.126
Onchocerca volvulus 0.0096 0.126 1
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.0369 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0096 0.126 0.126
Schistosoma mansoni tyrosine kinase 0.0096 0.126 0.126
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine kinase 0.0096 0.126 0.126
Onchocerca volvulus 0.0096 0.126 1
Brugia malayi SH2 domain containing protein 0.0096 0.126 0.126
Echinococcus granulosus tyrosine protein kinase Fyn 0.0096 0.126 0.126
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0096 0.126 0.126
Loa Loa (eye worm) TK/FER protein kinase 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0096 0.126 0.126
Echinococcus multilocularis tyrosine protein kinase Srms 0.0096 0.126 0.126
Echinococcus multilocularis dual specificity mitogen activated protein 0.0369 1 1

Activities

Activity type Activity value Assay description Source Reference
AbsAC40 (functional) > 15 uM PubChem BioAssay. HTS for the detection of C. neoformans cell lysis via adenylate kinase (AK) release Measured in Microorganism System Using Plate Reader - 2162-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference

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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