Detailed information for compound 40684

Basic information

Technical information
  • TDR Targets ID: 40684
  • Name: N-[4-(3-bromoanilino)-7-[4-(dimethylamino)but oxy]quinazolin-6-yl]prop-2-enamide
  • MW: 484.389 | Formula: C23H26BrN5O2
  • H donors: 2 H acceptors: 3 LogP: 4.6 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC(=O)Nc1cc2c(ncnc2cc1OCCCCN(C)C)Nc1cccc(c1)Br
  • InChi: 1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)
  • InChiKey: DKBAOZZHNYPUBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]-6-quinazolinyl]-2-propenamide
  • N-[4-[(3-bromophenyl)amino]-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
  • N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]acrylamide
  • N-[4-[(3-bromophenyl)amino]-7-(4-dimethylaminobutoxy)quinazolin-6-yl]prop-2-enamide
  • N-[4-[(3-bromophenyl)amino]-7-(4-dimethylaminobutoxy)-6-quinazolinyl]prop-2-enamide
  • N-[4-[(3-bromophenyl)amino]-7-(4-dimethylaminobutoxy)quinazolin-6-yl]acrylamide

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 japonicum Epidermal growth factor receptor precursor, 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
Loa Loa (eye worm) TK/EGFR protein 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 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 japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing 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 ko:K05085 receptor tyrosine-protein kinase erbB-4, putative 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 IPR000494,EGF receptor, L domain,domain-containing 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 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
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis 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 expressed protein 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
Schistosoma japonicum hypothetical protein 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
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
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 hypothetical protein 0.0112 0.1751 0.1608
Schistosoma mansoni chromobox protein 0.0074 0.1061 0.0906
Brugia malayi MH2 domain containing protein 0.0027 0.017 0.0244
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0208 0.355 0.4922
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0053 0.0663 0.2037
Plasmodium falciparum thioredoxin reductase 0.0054 0.0672 0.2077
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.059 0.0428
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.059 0.0428
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0042 0.0455 0.082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.059 0.0428
Mycobacterium ulcerans glutaminase 0.0294 0.5151 1
Trypanosoma cruzi trypanothione reductase, putative 0.0155 0.2555 0.7049
Echinococcus multilocularis chromobox protein 1 0.0074 0.1061 0.0906
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0635 0.0914
Brugia malayi MH2 domain containing protein 0.0391 0.6949 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.3027 0.416
Plasmodium falciparum thioredoxin reductase 0.0155 0.2555 1
Brugia malayi chromobox protein homolog 3 0.0042 0.0451 0.0649
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0635 0.0914
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0278 0.04
Brugia malayi MH2 domain containing protein 0.0027 0.017 0.0244
Loa Loa (eye worm) glutathione reductase 0.0155 0.2555 0.3474
Echinococcus multilocularis bloom syndrome protein 0.0079 0.1137 0.0984
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0032 0.0278 0.011
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0032 0.0278 0.0158
Trypanosoma brucei trypanothione reductase 0.0155 0.2555 0.7049
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0054 0.0672 0.2077
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0054 0.0672 0.1464
Schistosoma mansoni DNA helicase recq1 0.0032 0.0278 0.011
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0392 0.698 1
Brugia malayi Thioredoxin reductase 0.0155 0.2555 0.3677
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Schistosoma mansoni DNA helicase recq5 0.0032 0.0278 0.011
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.1475 0.1328
Schistosoma mansoni tyrosine kinase 0.0058 0.0745 0.0586
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0635 0.0474
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0054 0.0672 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.3027 0.2906
Brugia malayi MH1 domain containing protein 0.0027 0.017 0.0244
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0353 0.6247 0.8837
Schistosoma mansoni tyrosine kinase 0.018 0.3027 0.2906
Brugia malayi hypothetical protein 0.0162 0.2682 0.3859
Trichomonas vaginalis chromobox protein, putative 0.0045 0.051 0.058
Schistosoma mansoni chromobox protein 0.0074 0.1061 0.0906
Schistosoma mansoni hypothetical protein 0.0052 0.0635 0.0474
Brugia malayi glutathione reductase 0.0155 0.2555 0.3677
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.059 0.0428
Loa Loa (eye worm) hypothetical protein 0.0396 0.7038 1
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Echinococcus multilocularis 0.0056 0.0712 0.0551
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0042 0.0455 0.082
Loa Loa (eye worm) hypothetical protein 0.0027 0.0179 0.0014
Echinococcus multilocularis geminin 0.0555 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.059 0.0428
Echinococcus granulosus chromobox protein 1 0.0074 0.1061 0.0906
Mycobacterium tuberculosis Probable oxidoreductase 0.0392 0.698 1
Onchocerca volvulus 0.0162 0.2682 0.7342
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0053 0.0651 0.1988
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0054 0.0672 0.0968
Schistosoma mansoni glutaminase 0.0294 0.5151 0.5067
Brugia malayi Calcitonin receptor-like protein seb-1 0.0163 0.2712 0.3902
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0054 0.0672 0.1464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.059 0.0428
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0054 0.0672 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0155 0.2555 0.3474
Schistosoma mansoni kinase 0.0106 0.1644 0.15
Schistosoma mansoni hypothetical protein 0.0052 0.0635 0.0474
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0039 0.0407 0.0586
Mycobacterium tuberculosis Probable dehydrogenase 0.0353 0.6247 0.8837
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.059 0.0613
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.0745 0.0586
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0278 0.0416
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Echinococcus granulosus thioredoxin glutathione reductase 0.0155 0.2555 0.2427
Echinococcus granulosus bloom syndrome protein 0.0079 0.1137 0.0984
Loa Loa (eye worm) hypothetical protein 0.0162 0.2682 0.3658
Entamoeba histolytica serine/threonine protein kinase, putative 0.0208 0.355 1
Brugia malayi MH1 domain containing protein 0.0027 0.017 0.0244
Echinococcus granulosus GPCR family 2 0.0052 0.0635 0.0474
Schistosoma mansoni hypothetical protein 0.0555 1 1
Trichomonas vaginalis glutaminase, putative 0.0294 0.5151 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0032 0.0278 0.011
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0208 0.355 0.3439
Loa Loa (eye worm) hypothetical protein 0.0052 0.0635 0.0678
Brugia malayi glutaminase DH11.1 0.0294 0.5151 0.7413
Loa Loa (eye worm) transcription factor SMAD2 0.0391 0.6949 0.9871
Treponema pallidum NADH oxidase 0.0054 0.0672 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0163 0.2712 0.3702
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0054 0.0672 0.2077
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0155 0.2555 0.2985
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0054 0.0672 0.0512
Echinococcus granulosus epidermal growth factor receptor 0.018 0.3027 0.2906
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0353 0.6247 0.8837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0163 0.2712 0.3902
Schistosoma mansoni tyrosine kinase 0.0096 0.1456 0.1309
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Echinococcus granulosus chromobox protein 1 0.0074 0.1061 0.0906
Echinococcus granulosus insulin receptor 0.0058 0.0745 0.0586
Schistosoma mansoni hypothetical protein 0.0052 0.0635 0.0474
Echinococcus multilocularis insulin receptor 0.0058 0.0745 0.0586
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0208 0.355 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Trichomonas vaginalis DNA helicase recq, putative 0.0079 0.1137 0.1852
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0054 0.0672 0.1464
Loa Loa (eye worm) glutaminase 2 0.0294 0.5151 0.7253
Schistosoma mansoni tyrosine kinase 0.0097 0.1475 0.1328
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0039 0.0407 0.0586
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1061 0.1297
Schistosoma mansoni hypothetical protein 0.0118 0.1866 0.1726
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1593 0.2777
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0054 0.0672 0.1464
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0392 0.698 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.1866 0.1726
Plasmodium falciparum glutathione reductase 0.0155 0.2555 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0032 0.0278 0.011
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0635 0.0474
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0635 0.0678
Loa Loa (eye worm) hypothetical protein 0.0032 0.0278 0.0158
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0353 0.6247 0.8837
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0451 0.0461
Trichomonas vaginalis chromobox protein, putative 0.0045 0.051 0.058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.059 0.0428
Trichomonas vaginalis DNA helicase recq, putative 0.0042 0.0455 0.0469
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0054 0.0672 0.2077
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.1751 0.2519
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0054 0.0672 0.1464
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.1475 0.1328
Trypanosoma brucei polo-like protein kinase 0.0208 0.355 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0054 0.0672 0.5
Entamoeba histolytica hypothetical protein 0.0118 0.1866 0.4559
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0451 0.0514
Schistosoma mansoni tyrosine kinase 0.0096 0.1456 0.1309
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0392 0.698 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0208 0.355 0.3439
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0278 0.04
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.051 0.0695
Entamoeba histolytica hypothetical protein 0.0118 0.1866 0.4559
Onchocerca volvulus Serine\/threonine kinase homolog 0.0208 0.355 1
Schistosoma mansoni hypothetical protein 0.0555 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0353 0.6247 0.8837
Trypanosoma cruzi polo-like protein kinase, putative 0.0208 0.355 1
Schistosoma mansoni tyrosine kinase 0.0097 0.1475 0.1328
Schistosoma mansoni blooms syndrome DNA helicase 0.0062 0.0829 0.0671
Brugia malayi Bloom's syndrome protein homolog 0.0079 0.1137 0.1636
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0054 0.0672 0.1464
Schistosoma mansoni tyrosine kinase 0.0058 0.0745 0.0586
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.1475 0.1328
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0069 0.0959 0.3283
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0054 0.0672 0.2077
Schistosoma mansoni serine/threonine protein kinase 0.0208 0.355 0.3439
Plasmodium falciparum glutathione reductase 0.0054 0.0672 0.2077
Loa Loa (eye worm) hypothetical protein 0.0163 0.2712 0.3702
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0042 0.0455 0.082
Schistosoma mansoni hypothetical protein 0.0052 0.0635 0.0474
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0635 0.0474
Echinococcus multilocularis chromobox protein 1 0.0074 0.1061 0.0906
Loa Loa (eye worm) TK/INSR protein kinase 0.0058 0.0745 0.0838
Toxoplasma gondii NADPH-glutathione reductase 0.0054 0.0672 0.2077
Trichomonas vaginalis mercuric reductase, putative 0.0054 0.0672 0.091
Leishmania major trypanothione reductase 0.0155 0.2555 0.7049
Toxoplasma gondii thioredoxin reductase 0.0155 0.2555 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1593 0.2777
Trichomonas vaginalis DNA helicase recq1, putative 0.0079 0.1137 0.1852
Entamoeba histolytica hypothetical protein 0.0118 0.1866 0.4559
Loa Loa (eye worm) hypothetical protein 0.0112 0.1751 0.2302
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0278 0.0416
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0032 0.0278 0.0416
Entamoeba histolytica hypothetical protein 0.0118 0.1866 0.4559
Mycobacterium tuberculosis Probable reductase 0.0353 0.6247 0.8837
Brugia malayi hypothetical protein 0.0118 0.1866 0.2686
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0058 0.0745 0.0586
Plasmodium vivax glutathione reductase, putative 0.0155 0.2555 1
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1061 0.1698
Brugia malayi serine/threonine-protein kinase plk-2 0.0208 0.355 0.5109
Echinococcus multilocularis GPCR, family 2 0.0052 0.0635 0.0474
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.1866 0.1726
Brugia malayi Smad1 0.0027 0.017 0.0244
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0635 0.0474
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0054 0.0672 0.1464
Giardia lamblia Kinase, PLK 0.0208 0.355 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0054 0.0672 0.2077
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0054 0.0672 0.0512
Loa Loa (eye worm) hypothetical protein 0.0033 0.0283 0.0166
Brugia malayi Protein kinase domain containing protein 0.0058 0.0745 0.1072
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0054 0.0672 0.0512
Loa Loa (eye worm) MH2 domain-containing protein 0.0391 0.6949 0.9871
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.1866 0.1726
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.3027 0.4355
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0451 0.0461
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Giardia lamblia NADH oxidase lateral transfer candidate 0.0054 0.0672 0.1206
Loa Loa (eye worm) hypothetical protein 0.0042 0.0451 0.041
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0054 0.0672 0.1464
Plasmodium vivax thioredoxin reductase, putative 0.0155 0.2555 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.059 0.085
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0032 0.0278 0.011
Brugia malayi Heterochromatin protein 1 0.0074 0.1061 0.1526
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0054 0.0672 0.1464
Loa Loa (eye worm) glutaminase 0.0294 0.5151 0.7253
Trypanosoma cruzi polo-like protein kinase, putative 0.0208 0.355 1
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0672 0.1464
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1061 0.1698
Trichomonas vaginalis CAMK family protein kinase 0.0208 0.355 0.675
Brugia malayi hypothetical protein 0.0027 0.0179 0.0258
Schistosoma mansoni tyrosine kinase 0.0096 0.1456 0.1309
Loa Loa (eye worm) RecQ helicase 0.0079 0.1137 0.1408
Trichomonas vaginalis glutathione reductase, putative 0.0054 0.0672 0.091
Echinococcus multilocularis thioredoxin glutathione reductase 0.0155 0.2555 0.2427

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.9 nM Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by immunoaffinity chromatography ChEMBL. 10753475
IC50 (binding) = 3.9 nM Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by immunoaffinity chromatography ChEMBL. 10753475
IC50 (binding) = 7.9 nM Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting ChEMBL. 10753475
IC50 (binding) = 7.9 nM Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting ChEMBL. 10753475
Inhibition (functional) > 80 % Irreversible inhibition of formation of phosphorylated EGFR enzyme in A431 cells 8 h after washing cells free of the inhibitor ChEMBL. 10753475
Inhibition (functional) > 80 % Irreversible inhibition of formation of phosphorylated EGFR enzyme in A431 cells 8 h after washing cells free of the inhibitor ChEMBL. 10753475

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.

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