Detailed information for compound 1749580

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.5 | Formula: C25H27N3O3
  • H donors: 1 H acceptors: 2 LogP: 5.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1C(=CN(C(=C1C#N)N)c1ccc(cc1)C(C)(C)C)C(=O)OC
  • InChi: 1S/C25H27N3O3/c1-25(2,3)17-8-10-18(11-9-17)28-15-21(24(29)31-5)22(20(14-26)23(28)27)16-6-12-19(30-4)13-7-16/h6-13,15,22H,27H2,1-5H3
  • InChiKey: NFUMDCFUDLQRSD-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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1585 0.1547
Brugia malayi glutaminase DH11.1 0.0308 0.9916 0.9915
Loa Loa (eye worm) TK/INSR protein kinase 0.0049 0.0587 0.0545
Schistosoma mansoni glutaminase 0.0308 0.9916 0.9915
Echinococcus granulosus ephrin type A receptor 4 A 0.0133 0.3609 0.3609
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1585 0.1547
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0311 1 1
Onchocerca volvulus 0.0118 0.3067 0.3601
Echinococcus multilocularis epidermal growth factor receptor 0.0081 0.175 0.1713
Echinococcus multilocularis epidermal growth factor receptor 0.015 0.422 0.4194
Brugia malayi Protein kinase domain containing protein 0.0049 0.0587 0.0545
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0311 1 1
Brugia malayi RNA binding protein 0.0076 0.1585 0.1547
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1585 0.1547
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1585 0.1547
Echinococcus granulosus insulin receptor 0.0049 0.0587 0.0587
Brugia malayi ephrin receptor 1 precursor 0.0058 0.0906 0.0865
Echinococcus granulosus epidermal growth factor receptor 0.0081 0.175 0.175
Loa Loa (eye worm) TK/EPH protein kinase 0.0152 0.4304 0.4279
Loa Loa (eye worm) RNA binding protein 0.0076 0.1585 0.1547
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1585 0.1547
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0311 1 1
Echinococcus multilocularis 0.0046 0.0487 0.0444
Schistosoma mansoni tyrosine kinase 0.0081 0.175 0.1713
Onchocerca volvulus 0.0267 0.8437 1
Toxoplasma gondii fructose-bisphospatase I 0.0115 0.2987 0.2955
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1585 0.1547
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.7271 0.7259
Schistosoma mansoni ephrin receptor 0.012 0.3144 0.3113
Loa Loa (eye worm) hypothetical protein 0.0118 0.3067 0.3036
Loa Loa (eye worm) TK/EGFR protein kinase 0.015 0.422 0.4194
Echinococcus multilocularis insulin receptor 0.0049 0.0587 0.0545
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0311 1 1
Schistosoma mansoni tyrosine kinase 0.0049 0.0587 0.0545
Brugia malayi TAR-binding protein 0.0076 0.1585 0.1547
Schistosoma mansoni tyrosine kinase 0.0079 0.1672 0.1635
Schistosoma mansoni tyrosine kinase 0.0049 0.0587 0.0545
Echinococcus multilocularis ephrin type A receptor 4 A 0.0133 0.3609 0.3581
Plasmodium vivax SET domain protein, putative 0.0034 0.0045 0.5
Brugia malayi Pre-SET motif family protein 0.0235 0.7271 0.7259
Schistosoma mansoni tyrosine kinase 0.0079 0.1672 0.1635
Loa Loa (eye worm) glutaminase 2 0.0308 0.9916 0.9915
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1585 0.1547
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0311 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0045 0.0045
Leishmania major 0.0311 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0988 0.0948
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0311 1 1
Schistosoma mansoni tyrosine kinase 0.015 0.422 0.4194
Brugia malayi Furin-like cysteine rich region family protein 0.015 0.422 0.4194
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1585 0.1547
Echinococcus granulosus tar DNA binding protein 0.0076 0.1585 0.1585
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1585 0.1547
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0081 0.175 0.175
Schistosoma mansoni tyrosine kinase 0.0079 0.1672 0.1635
Toxoplasma gondii fructose-bisphospatase II 0.0311 1 1
Schistosoma mansoni tyrosine kinase 0.0081 0.175 0.1713
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0053 0.0746 0.0746
Trichomonas vaginalis glutaminase, putative 0.0308 0.9916 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0311 1 1
Mycobacterium ulcerans glutaminase 0.0308 0.9916 0.5
Echinococcus granulosus epidermal growth factor receptor 0.015 0.422 0.422
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0053 0.0746 0.0705
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0115 0.2987 0.2955
Loa Loa (eye worm) glutaminase 0.0308 0.9916 0.9915

Activities

No activities found for this compound.

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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