Detailed information for compound 1011137

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.237 | Formula: C19H14BrN3O3
  • H donors: 2 H acceptors: 5 LogP: 3.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br)/C=C/C(=O)O
  • InChi: 1S/C19H14BrN3O3/c20-13-2-1-3-14(10-13)23-19-16-9-12(4-6-17(16)21-11-22-19)8-15(24)5-7-18(25)26/h1-7,9-11H,8H2,(H,25,26)(H,21,22,23)/b7-5+
  • InChiKey: NVSHPIRDGRDDOB-FNORWQNLSA-N  

Network

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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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tyrosine kinase 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
Echinococcus granulosus melanoma receptor tyrosine protein 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 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
Schistosoma japonicum hypothetical protein 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
Schistosoma japonicum Epidermal growth factor receptor 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 mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative 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 expressed protein 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
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family 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
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 japonicum Tyrosine-protein kinase transforming protein erbB, 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 japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative 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
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase 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
Schistosoma mansoni alpha tubulin 0.0426 0.7762 0.7762
Echinococcus granulosus Tubulin beta 2C chain 0.0533 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0426 0.7762 0.7762
Loa Loa (eye worm) tubulin beta chain 0.0533 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0426 0.7762 0.7363
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Plasmodium falciparum tubulin gamma chain 0.0298 0.5068 0.4188
Trichomonas vaginalis tubulin beta chain, putative 0.0169 0.2342 0.0974
Trypanosoma brucei beta tubulin 0.0533 1 1
Schistosoma mansoni tubulin subunit alpha 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Loa Loa (eye worm) tubulin beta chain 0.013 0.1515 0.1515
Schistosoma mansoni alpha tubulin 0.0426 0.7762 0.7762
Loa Loa (eye worm) alpha-tubulin 0.0426 0.7762 0.7762
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0426 0.7762 0.7363
Brugia malayi Cell division protein ftsZ 0.013 0.1515 0.1515
Schistosoma mansoni tubulin subunit beta 0.0533 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0297 0.5036 0.5036
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Echinococcus granulosus tubulin subunit TubB 0.0426 0.7762 0.7762
Loa Loa (eye worm) tubulin alpha 2 0.0297 0.5036 0.5036
Echinococcus multilocularis Tubulin beta 2C chain 0.0533 1 1
Echinococcus granulosus tubulin alpha chain 0.0426 0.7762 0.7762
Trypanosoma brucei beta tubulin 0.0533 1 1
Schistosoma mansoni tyrosine kinase 0.0096 0.0804 0.0804
Trichomonas vaginalis tubulin, putative 0.0533 1 1
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Schistosoma mansoni tyrosine kinase 0.0097 0.0826 0.0826
Brugia malayi Tubulin alpha-2 chain 0.0426 0.7762 0.7762
Schistosoma mansoni tubulin subunit beta 0.0533 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.013 0.1515 0.5
Trypanosoma brucei tubulin gamma chain 0.0298 0.5068 0.4188
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0533 1 1
Echinococcus multilocularis tubulin alpha 0.0298 0.5068 0.5068
Echinococcus granulosus tubulin beta 4A class IVa 0.0533 1 1
Giardia lamblia Beta tubulin 0.0533 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0426 0.7762 0.7363
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.258 0.258
Plasmodium vivax tubulin alpha chain, putative 0.0426 0.7762 0.7363
Echinococcus granulosus tubulin alpha 3 chain 0.0426 0.7762 0.7762
Brugia malayi Tubulin alpha chain 0.013 0.1515 0.1515
Entamoeba histolytica tubulin alpha-1 chain 0.0426 0.7762 0.5463
Echinococcus multilocularis tubulin alpha 1C chain 0.0426 0.7762 0.7762
Echinococcus multilocularis tubulin alpha 3 chain 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Schistosoma mansoni tubulin subunit alpha 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Brugia malayi alpha-tubulin 0.0426 0.7762 0.7762
Trichomonas vaginalis tubulin beta chain, putative 0.0426 0.7762 0.7363
Trypanosoma brucei beta tubulin 0.0533 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0426 0.7762 0.7363
Echinococcus granulosus tubulin alpha 3 chain 0.0426 0.7762 0.7762
Echinococcus multilocularis tubulin subunit beta 0.0533 1 1
Leishmania major beta tubulin 0.0533 1 1
Echinococcus granulosus epidermal growth factor receptor 0.018 0.258 0.258
Brugia malayi Tubulin beta chain 0.0169 0.2342 0.2342
Echinococcus granulosus tubulin alpha 1C chain 0.0426 0.7762 0.7762
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0297 0.5036 0.5036
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.0826 0.0826
Leishmania major beta tubulin 0.0533 1 1
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.0826 0.0826
Echinococcus multilocularis tubulin alpha chain 0.0426 0.7762 0.7762
Giardia lamblia Alpha-tubulin 0.0426 0.7762 0.7363
Giardia lamblia Gamma tubulin 0.0298 0.5068 0.4188
Leishmania major gamma-tubulin 0.0298 0.5068 0.4188
Giardia lamblia Beta tubulin 0.0533 1 1
Brugia malayi Tubulin beta chain 0.013 0.1515 0.1515
Brugia malayi beta-tubulin, identical 0.0533 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0533 1 1
Echinococcus granulosus beta tubulin 0.0533 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0426 0.7762 0.5463
Trichomonas vaginalis tubulin alpha chain, putative 0.0533 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.013 0.1515 0.5
Toxoplasma gondii alpha tubulin TUBA1 0.0426 0.7762 0.7363
Loa Loa (eye worm) hypothetical protein 0.0426 0.7762 0.7762
Trypanosoma brucei alpha tubulin 0.0426 0.7762 0.7363
Brugia malayi Tubulin alpha-2 chain 0.0426 0.7762 0.7762
Echinococcus granulosus tubulin alpha chain 0.0426 0.7762 0.7762
Echinococcus multilocularis peroxisome assembly protein 26 0.0426 0.7762 0.7762
Echinococcus multilocularis hypothetical protein 0.0426 0.7762 0.7762
Echinococcus granulosus Tubulin alpha 1 chain 0.0426 0.7762 0.7762
Schistosoma mansoni tubulin subunit delta 0.013 0.1515 0.1515
Trichomonas vaginalis tubulin epsilon chain, putative 0.0533 1 1
Echinococcus granulosus beta tubulin 0.0533 1 1
Echinococcus granulosus tubulin alpha chain 0.0426 0.7762 0.7762
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0258 0.4209 0.3175
Echinococcus multilocularis tubulin alpha chain 0.0426 0.7762 0.7762
Plasmodium vivax tubulin epsilon chain, putative 0.0298 0.5068 0.4188
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0169 0.2342 0.0974
Brugia malayi Tubulin gamma chain 0.0298 0.5068 0.5068
Trypanosoma brucei alpha tubulin 0.0426 0.7762 0.7363
Loa Loa (eye worm) tubulin alpha 2 0.0128 0.1483 0.1483
Trichomonas vaginalis tubulin alpha chain, putative 0.0298 0.5068 0.4188
Schistosoma mansoni tyrosine kinase 0.0096 0.0804 0.0804
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.0826 0.0826
Echinococcus granulosus tubulin gamma 1 chain 0.0298 0.5068 0.5068
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0297 0.5036 0.4149
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Trypanosoma brucei alpha tubulin 0.0426 0.7762 0.7363
Echinococcus granulosus tubulin beta 1 chain 0.0533 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0426 0.7762 0.7762
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Echinococcus multilocularis tubulin alpha chain 0.0426 0.7762 0.7762
Echinococcus granulosus tubulin alpha 1C chain 0.0426 0.7762 0.7762
Loa Loa (eye worm) tubulin alpha-2 chain 0.0426 0.7762 0.7762
Trichomonas vaginalis tubulin beta chain, putative 0.0426 0.7762 0.7363
Loa Loa (eye worm) hypothetical protein 0.0258 0.4209 0.4209
Loa Loa (eye worm) BEN-1 protein 0.0533 1 1
Echinococcus granulosus tubulin alpha chain 0.0426 0.7762 0.7762
Trypanosoma cruzi alpha tubulin, putative 0.0426 0.7762 0.7363
Loa Loa (eye worm) tubulin alpha chain 0.0426 0.7762 0.7762
Brugia malayi tubulin alpha chain - mouse 0.0426 0.7762 0.7762
Schistosoma mansoni tubulin subunit beta 0.0533 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0298 0.5068 0.5068
Loa Loa (eye worm) BEN-1 protein 0.0533 1 1
Onchocerca volvulus 0.0169 0.2342 0.5
Trypanosoma brucei beta tubulin 0.0298 0.5068 0.4188
Echinococcus granulosus tubulin delta chain 0.013 0.1515 0.1515
Trichomonas vaginalis tubulin, putative 0.0169 0.2342 0.0974
Leishmania major beta tubulin 0.0533 1 1
Leishmania major beta tubulin 0.0533 1 1
Toxoplasma gondii beta tubulin 0.0533 1 1
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Schistosoma mansoni tyrosine kinase 0.0096 0.0804 0.0804
Leishmania major beta tubulin 0.0533 1 1
Schistosoma mansoni tubulin subunit alpha 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Loa Loa (eye worm) tubulin beta-2A chain 0.0533 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0533 1 1
Trypanosoma cruzi tubulin gamma chain 0.0298 0.5068 0.4188
Schistosoma mansoni tubulin subunit beta 0.0533 1 1
Echinococcus multilocularis beta tubulin 0.0533 1 1
Plasmodium vivax tubulin beta chain, putative 0.0533 1 1
Schistosoma mansoni tyrosine kinase 0.018 0.258 0.258
Plasmodium vivax tubulin alpha chain, putative 0.0426 0.7762 0.7363
Trypanosoma brucei epsilon tubulin 0.0298 0.5068 0.4188
Echinococcus multilocularis tubulin alpha 1C chain 0.0426 0.7762 0.7762
Echinococcus multilocularis tubulin subunit TubB 0.0426 0.7762 0.7762
Schistosoma mansoni tubulin subunit beta 0.0533 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0426 0.7762 0.7762
Echinococcus multilocularis Tubulin beta 2C chain 0.0533 1 1
Loa Loa (eye worm) beta-tubulin 0.0533 1 1
Leishmania major beta tubulin 0.0533 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.258 0.258
Trichomonas vaginalis tubulin epsilon chain, putative 0.0426 0.7762 0.7363
Leishmania major beta tubulin 0.0533 1 1
Echinococcus granulosus tubulin epsilon chain 0.0298 0.5068 0.5068
Loa Loa (eye worm) tubulin alpha-3 chain 0.0258 0.4209 0.4209
Leishmania major epsilon tubulin, putative 0.0298 0.5068 0.4188
Echinococcus multilocularis tubulin delta chain 0.013 0.1515 0.1515
Entamoeba histolytica tubulin family protein 0.0533 1 1
Leishmania major beta tubulin 0.0533 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0533 1 1
Loa Loa (eye worm) alpha-tubulin 0.0426 0.7762 0.7762
Schistosoma mansoni tyrosine kinase 0.0097 0.0826 0.0826
Toxoplasma gondii alpha-tubulin I, putative 0.0426 0.7762 0.7363
Plasmodium falciparum alpha tubulin 1 0.0426 0.7762 0.7363
Trichomonas vaginalis tubulin gamma chain, putative 0.0533 1 1
Schistosoma mansoni tubulin subunit beta 0.0533 1 1
Schistosoma mansoni alpha tubulin 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0426 0.7762 0.7762
Toxoplasma gondii beta-1 tubulin, putative 0.0533 1 1
Schistosoma mansoni tubulin subunit alpha 0.013 0.1515 0.1515
Plasmodium vivax tubulin gamma chain, putative 0.0298 0.5068 0.4188
Leishmania major beta tubulin 0.0533 1 1
Schistosoma mansoni tubulin subunit gamma 0.0298 0.5068 0.5068
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Echinococcus granulosus alpha tubulin 0.0426 0.7762 0.7762
Echinococcus multilocularis tubulin gamma 1 chain 0.0298 0.5068 0.5068
Echinococcus multilocularis Tubulin alpha 1 chain 0.0426 0.7762 0.7762
Trypanosoma brucei beta tubulin 0.0533 1 1
Plasmodium falciparum alpha tubulin 2 0.0426 0.7762 0.7363
Trichomonas vaginalis tubulin gamma chain, putative 0.0298 0.5068 0.4188
Brugia malayi tubulin alpha-2 chain 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Echinococcus multilocularis tubulin epsilon chain 0.0298 0.5068 0.5068
Echinococcus multilocularis Tubulin alpha 1 chain 0.0426 0.7762 0.7762
Schistosoma mansoni tubulin subunit epsilon 0.0298 0.5068 0.5068
Leishmania major beta tubulin 0.0533 1 1
Trypanosoma cruzi beta tubulin, putative 0.0533 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0533 1 1
Giardia lamblia Beta tubulin 0.0533 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0533 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.013 0.1515 0.5
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0298 0.5068 0.4188
Echinococcus granulosus Tubulin beta 2C chain 0.0533 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0533 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0533 1 1
Echinococcus multilocularis beta tubulin 0.0533 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0533 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.2342 0.0974
Echinococcus granulosus Tubulin alpha 1 chain 0.0426 0.7762 0.7762
Mycobacterium leprae cell division protein FtsZ 0.013 0.1515 0.5
Echinococcus granulosus tubulin alpha chain 0.0426 0.7762 0.7762
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.2342 0.0974
Brugia malayi Tubulin alpha chain 0.0426 0.7762 0.7762
Echinococcus multilocularis Tubulin beta 2C chain 0.0533 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0298 0.5068 0.4188
Trichomonas vaginalis tubulin beta chain, putative 0.0426 0.7762 0.7363
Echinococcus multilocularis Tubulin alpha 1 chain 0.0426 0.7762 0.7762
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.258 0.258
Trypanosoma brucei epsilon tubulin 0.0298 0.5068 0.4188
Leishmania major beta tubulin 0.0533 1 1
Entamoeba histolytica tubulin family protein 0.0533 1 1
Trypanosoma brucei alpha tubulin, putative 0.0169 0.2342 0.0974
Plasmodium falciparum tubulin beta chain 0.0533 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.2342 0.0974
Echinococcus multilocularis tubulin alpha chain 0.0426 0.7762 0.7762
Leishmania major beta tubulin 0.0533 1 1
Treponema pallidum cell division protein FtsZ 0.013 0.1515 0.5
Trichomonas vaginalis tubulin, putative 0.0169 0.2342 0.0974
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Plasmodium falciparum tubulin epsilon chain, putative 0.0298 0.5068 0.4188
Trichomonas vaginalis tubulin gamma chain, putative 0.0298 0.5068 0.4188
Leishmania major alpha tubulin 0.0426 0.7762 0.7363
Trypanosoma brucei alpha tubulin 0.0426 0.7762 0.7363
Echinococcus granulosus tubulin subunit beta 0.0533 1 1
Schistosoma mansoni tubulin subunit beta 0.013 0.1515 0.1515
Trichomonas vaginalis tubulin epsilon chain, putative 0.0426 0.7762 0.7363
Echinococcus multilocularis tubulin alpha chain 0.0426 0.7762 0.7762
Toxoplasma gondii beta-tubulin, putative 0.0533 1 1
Trypanosoma brucei epsilon tubulin 0.0298 0.5068 0.4188
Echinococcus multilocularis Tubulin beta 2C chain 0.0533 1 1
Giardia lamblia Alpha-tubulin 0.0426 0.7762 0.7363
Echinococcus granulosus tubulin alpha 0.0298 0.5068 0.5068
Loa Loa (eye worm) tubulin beta-1 chain 0.0533 1 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.5036 0.5036
Trypanosoma cruzi epsilon tubulin, putative 0.0298 0.5068 0.4188

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.43 Inhibition of human recombinant EGFR ChEMBL. 19170633

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.