Detailed information for compound 1643386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.413 | Formula: C20H22N4O4
  • H donors: 2 H acceptors: 3 LogP: 3.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOC(=O)Nc1ccc(cc1)Nc1ncnc2c1cc(OC)c(c2)OC
  • InChi: 1S/C20H22N4O4/c1-4-9-28-20(25)24-14-7-5-13(6-8-14)23-19-15-10-17(26-2)18(27-3)11-16(15)21-12-22-19/h5-8,10-12H,4,9H2,1-3H3,(H,24,25)(H,21,22,23)
  • InChiKey: ZTXDXPUMWKTHBC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597

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
Loa Loa (eye worm) hypothetical protein 0.0018 0.004 0.004
Echinococcus multilocularis SWI:SNF matrix associated 0.0726 1 1
Loa Loa (eye worm) hypothetical protein 0.0258 0.3422 0.3422
Brugia malayi SWIB/MDM2 domain containing protein 0.0726 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0258 0.3422 0.5
Schistosoma mansoni fusion 0.0258 0.3422 0.3422
Echinococcus granulosus Zinc finger RanBP2 type 0.0258 0.3422 0.3422
Onchocerca volvulus 0.0726 1 1
Schistosoma mansoni tyrosine kinase 0.0096 0.1137 0.1137
Schistosoma mansoni tyrosine kinase 0.0181 0.2338 0.2338
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0726 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0258 0.3422 0.5
Loa Loa (eye worm) hypothetical protein 0.0258 0.3422 0.3422
Echinococcus granulosus SWI:SNF matrix associated 0.0726 1 1
Schistosoma mansoni tyrosine kinase 0.0059 0.0614 0.0614
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0726 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0258 0.3422 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0181 0.2338 0.2307
Echinococcus multilocularis insulin receptor 0.0059 0.0614 0.0576
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0726 1 1
Loa Loa (eye worm) hypothetical protein 0.0258 0.3422 0.3422
Trypanosoma cruzi hypothetical protein, conserved 0.0258 0.3422 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0258 0.3422 0.5
Leishmania major hypothetical protein, conserved 0.0258 0.3422 0.5
Leishmania major hypothetical protein, conserved 0.0258 0.3422 0.5
Schistosoma mansoni tyrosine kinase 0.0059 0.0614 0.0614
Loa Loa (eye worm) TK/INSR protein kinase 0.0059 0.0614 0.0614
Loa Loa (eye worm) TK/EGFR protein kinase 0.0181 0.2338 0.2338
Schistosoma mansoni zinc finger protein 0.0258 0.3422 0.3422
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0258 0.3422 0.2992
Onchocerca volvulus 0.0258 0.3422 0.1637
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.2204 0.0088
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0258 0.3422 0.1637
Brugia malayi Furin-like cysteine rich region family protein 0.0181 0.2338 0.1836
Trypanosoma brucei hypothetical protein, conserved 0.0258 0.3422 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0258 0.3422 0.5
Leishmania major hypothetical protein, conserved 0.0258 0.3422 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0258 0.3422 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0726 1 1
Echinococcus granulosus roundabout 2 0.0018 0.004 0.004
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.2373 0.1874
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0726 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0258 0.3422 0.2992
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0726 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0181 0.2338 0.2338
Onchocerca volvulus 0.0258 0.3422 0.1637
Schistosoma mansoni tyrosine kinase 0.0098 0.1166 0.1166
Loa Loa (eye worm) hypothetical protein 0.0258 0.3422 0.3422
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0258 0.3422 0.2992
Schistosoma mansoni hypothetical protein 0.0258 0.3422 0.3422
Schistosoma mansoni TRABID protein (C64 family) 0.0258 0.3422 0.3422
Trypanosoma cruzi WLM domain containing protein, putative 0.0258 0.3422 0.5
Echinococcus granulosus insulin receptor 0.0059 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0258 0.3422 0.3422
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0258 0.3422 0.3396
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0098 0.1166 0.1166
Brugia malayi brahma associated protein 60 kDa 0.0726 1 1
Schistosoma mansoni brg-1 associated factor 0.0726 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0258 0.3422 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0059 0.0614 0.0576
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0258 0.3422 0.3422
Schistosoma mansoni tyrosine kinase 0.0098 0.1166 0.1166
Trichomonas vaginalis conserved hypothetical protein 0.0726 1 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0258 0.3422 0.2992
Trypanosoma cruzi hypothetical protein, conserved 0.0258 0.3422 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0258 0.3422 0.3396
Onchocerca volvulus 0.0258 0.3422 0.1637
Schistosoma mansoni hypothetical protein 0.0726 1 1
Onchocerca volvulus 0.0258 0.3422 0.1637
Echinococcus multilocularis ring and YY1 binding protein 0.0258 0.3422 0.3396
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0726 1 0.5
Echinococcus multilocularis 0.0056 0.0574 0.0536
Plasmodium vivax hypothetical protein, conserved 0.0726 1 0.5
Schistosoma mansoni hypothetical protein 0.0726 1 1
Leishmania major hypothetical protein, conserved 0.0258 0.3422 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0258 0.3422 0.3422
Brugia malayi YY1-associated factor 2 0.0258 0.3422 0.2992
Leishmania major hypothetical protein, conserved 0.0258 0.3422 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0258 0.3422 0.3422
Schistosoma mansoni hypothetical protein 0.0726 1 1
Schistosoma mansoni RNA binding protein 0.0258 0.3422 0.3422
Echinococcus granulosus epidermal growth factor receptor 0.0098 0.1166 0.1166
Trypanosoma cruzi WLM domain containing protein, putative 0.0258 0.3422 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0098 0.1166 0.113
Echinococcus multilocularis SWI:SNF matrix associated 0.0726 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0726 1 1
Schistosoma mansoni tyrosine kinase 0.0096 0.1137 0.1137
Echinococcus multilocularis zinc finger protein Ran binding 0.0258 0.3422 0.3396
Loa Loa (eye worm) hypothetical protein 0.0018 0.004 0.004
Trypanosoma brucei hypothetical protein, conserved 0.0258 0.3422 0.5
Loa Loa (eye worm) brahma associated protein 0.0726 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0726 1 0.5
Chlamydia trachomatis SWIB complex protein 0.0726 1 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.1137 0.1137
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0726 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.2373 0.2373
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0258 0.3422 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0059 0.0614 0.0614

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting ChEMBL. 22229669
IC50 (binding) = 7.05 uM Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting ChEMBL. 22229669
Inhibition (functional) = 1 % Antiproliferative activity against human PC3 cells at 10 uM after 72 hrs by MTS assay ChEMBL. 22229669

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.