Detailed information for compound 1526143

Basic information

Technical information
  • TDR Targets ID: 1526143
  • Name: 3-(2,4-difluorophenyl)-1-[4-(6,7-dimethoxyqui nazolin-4-yl)oxyphenyl]urea
  • MW: 452.41 | Formula: C23H18F2N4O4
  • H donors: 2 H acceptors: 3 LogP: 4.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2ncnc(c2cc1OC)Oc1ccc(cc1)NC(=O)Nc1ccc(cc1F)F
  • InChi: 1S/C23H18F2N4O4/c1-31-20-10-16-19(11-21(20)32-2)26-12-27-22(16)33-15-6-4-14(5-7-15)28-23(30)29-18-8-3-13(24)9-17(18)25/h3-12H,1-2H3,(H2,28,29,30)
  • InChiKey: FMQNPBJPCTVJNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,4-difluorophenyl)-1-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References
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
Echinococcus granulosus epidermal growth factor receptor 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
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 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
Echinococcus granulosus melanoma receptor tyrosine 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
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 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 mansoni tyrosine kinase 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 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 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
Onchocerca volvulus 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 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
Echinococcus multilocularis 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
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum hypothetical protein 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
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
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.1244 0.1244
Loa Loa (eye worm) TK/INSR protein kinase 0.0059 0.0268 0.0617
Onchocerca volvulus 0.0167 0.1066 0.2147
Schistosoma mansoni zinc finger protein 0.0026 0.0025 0.0025
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0067 0.0067
Echinococcus multilocularis zinc finger protein 0.0026 0.0025 0.0025
Schistosoma mansoni tyrosine kinase 0.0098 0.0557 0.0557
Brugia malayi Pre-SET motif family protein 0.009 0.0498 0.1146
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.009 0.0498 0.0498
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0045 0.0287
Loa Loa (eye worm) histone methyltransferase 0.0038 0.0119 0.0273
Loa Loa (eye worm) hypothetical protein 0.0055 0.0242 0.0558
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Schistosoma mansoni hypothetical protein 0.0028 0.0045 0.0045
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0238
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1757 0.3539
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0235 0.1574 1
Schistosoma mansoni chromobox protein 0.0136 0.0841 0.0841
Echinococcus multilocularis Chromobox protein 3 0.0022 0.000000026976 0.000000026976
Schistosoma mansoni hypothetical protein 0.0157 0.0994 0.0994
Schistosoma mansoni hypothetical protein 0.0507 0.3576 0.3576
Onchocerca volvulus 0.0048 0.0193 0.0388
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.1938 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0103 0.0248
Schistosoma mansoni cpg binding protein 0.0114 0.0675 0.0675
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Echinococcus granulosus chromobox protein 1 0.0136 0.0841 0.0841
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0106 0.0621 0.0621
Brugia malayi mbt repeat family protein 0.0048 0.0193 0.0444
Echinococcus granulosus epidermal growth factor receptor 0.0098 0.0557 0.0557
Plasmodium falciparum phd finger protein, putative 0.0028 0.0045 0.0287
Echinococcus multilocularis geminin 0.0507 0.3576 0.3576
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.0403 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0031 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0069 0.0347 0.0799
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.033 0.033
Mycobacterium tuberculosis Conserved protein 0.0036 0.0103 0.0248
Onchocerca volvulus 0.0022 0.000000026976 0.000000054341
Brugia malayi chromobox protein homolog 3 0.0076 0.0399 0.0919
Trichomonas vaginalis chromobox protein, putative 0.0082 0.0442 0.089
Trichomonas vaginalis chromobox protein, putative 0.0136 0.0841 0.1694
Brugia malayi beta-lactamase 0.0036 0.0103 0.0238
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0491 0.1131
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0403 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0031 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.006 0.0277 0.0638
Onchocerca volvulus 0.0036 0.0103 0.0208
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0096 0.0096
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0038 0.0119 0.0119
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.033 0.076
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0103 0.0657
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.033 0.076
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0041 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0238
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0103 0.1088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0238
Brugia malayi Bromodomain containing protein 0.0031 0.0062 0.0143
Schistosoma mansoni tyrosine kinase 0.0098 0.0557 0.0557
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0244 0.1639 0.1639
Brugia malayi Furin-like cysteine rich region family protein 0.0181 0.1173 0.27
Trichomonas vaginalis chromobox protein, putative 0.0136 0.0841 0.1694
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0315 0.0315
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0103 0.0208
Loa Loa (eye worm) hypothetical protein 0.0147 0.0923 0.2125
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0031 0.0068 0.0068
Echinococcus multilocularis peptidase Clp (S14 family) 0.0154 0.0975 0.0975
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0491 0.0491
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0067 0.0424
Brugia malayi SET domain containing protein 0.0028 0.0042 0.0097
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0031 0.0062 0.0062
Echinococcus granulosus dnaJ subfamily B 0.122 0.8844 0.8844
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Brugia malayi jmjC domain containing protein 0.0043 0.0151 0.0347
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Brugia malayi isocitrate dehydrogenase 0.0031 0.0067 0.0154
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0045 0.0129
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0403 0.2563
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0238
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0048 0.019 0.0383
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Echinococcus granulosus epidermal growth factor receptor 0.0181 0.1173 0.1173
Echinococcus granulosus mixed lineage leukemia protein mll 0.0031 0.0068 0.0068
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0038 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0157 0.0994 0.0994
Trichomonas vaginalis helicase, putative 0.0026 0.0026 0.0052
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.033 0.7822
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.033 0.1703
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0151 0.0151
Onchocerca volvulus Alhambra homolog 0.0028 0.0045 0.0091
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0491 0.0491
Echinococcus multilocularis chromobox protein 1 0.0136 0.0841 0.0841
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0242 0.0558
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.009 0.009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0496 0.3498 0.8052
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.033 0.033
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0046 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0102 0.0205
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0491 0.1131
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Echinococcus multilocularis GPCR, family 2 0.0157 0.0994 0.0994
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0268 0.0618
Onchocerca volvulus 0.0112 0.0662 0.1334
Loa Loa (eye worm) hypothetical protein 0.0028 0.0045 0.0104
Brugia malayi beta-lactamase family protein 0.0036 0.0103 0.0238
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0193 0.0388
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0031 0.0068 0.0068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0048 0.019 0.0383
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.1938 1
Echinococcus granulosus cpg binding protein 0.0122 0.0736 0.0736
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Echinococcus granulosus insulin receptor 0.0059 0.0268 0.0268
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.009 0.009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0103 0.0103
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0045 0.0129
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1757 0.3539
Schistosoma mansoni hypothetical protein 0.0034 0.009 0.009
Trichomonas vaginalis chromobox protein, putative 0.0082 0.0442 0.089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0491 0.0491
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0081 0.0434 0.2251
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0238
Schistosoma mansoni hypothetical protein 0.0157 0.0994 0.0994
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0127 0.0127
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.0862 0.5161
Schistosoma mansoni cpg binding protein 0.0122 0.0736 0.0736
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0067 0.0067
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0157 0.0994 0.0994
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0491 0.0491
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0076 0.0399 0.0804
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 0.5
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0381 0.0381
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0103 0.0248
Brugia malayi Latrophilin receptor protein 2 0.0157 0.0994 0.2289
Echinococcus granulosus peregrin 0.0031 0.0062 0.0062
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.1583 0.3644
Onchocerca volvulus 0.0147 0.0923 0.1859
Loa Loa (eye worm) hypothetical protein 0.0339 0.2339 0.5385
Brugia malayi CHD4 protein 0.0031 0.0062 0.0142
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1757 0.3539
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.1583 0.3644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Onchocerca volvulus 0.0036 0.0103 0.0208
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0157 0.0994 0.0994
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0103 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0399 0.0804
Echinococcus multilocularis chromobox protein 1 0.0136 0.0841 0.0841
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0067 0.0154
Echinococcus multilocularis dnaJ subfamily B 0.122 0.8844 0.8844
Loa Loa (eye worm) hypothetical protein 0.004 0.013 0.03
Schistosoma mansoni hypothetical protein 0.122 0.8844 0.8844
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0098 0.0557 0.0557
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Schistosoma mansoni tyrosine kinase 0.0059 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0442
Schistosoma mansoni tyrosine kinase 0.0096 0.0542 0.0542
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.033 0.7822
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0103 0.0238
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0242 0.0242
Echinococcus multilocularis cpg binding protein 0.0122 0.0736 0.0736
Brugia malayi PHD-finger family protein 0.0028 0.0045 0.0104
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0496 0.3498 0.8052
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0059 0.0268 0.0268
Echinococcus granulosus peptidase Clp S14 family 0.0154 0.0975 0.0975
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.1096 0.2208
Schistosoma mansoni peptidase Clp (S14 family) 0.0235 0.1574 0.1574
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0046 0.0046
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0403 1
Brugia malayi Bromodomain containing protein 0.0038 0.0113 0.0259
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0157 0.0994 0.0994
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0193 0.0193
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0235 0.1574 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0611 0.4344 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0103 0.0248
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.026 0.1757 0.4045
Mycobacterium tuberculosis Conserved protein 0.0036 0.0103 0.0248
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.026 0.1757 0.4045
Brugia malayi Protein kinase domain containing protein 0.0059 0.0268 0.0617
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0496 0.3498 0.8052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0491 0.0491
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0235 0.1574 0.4492
Onchocerca volvulus 0.0114 0.0675 0.1359
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0103 0.0248
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0491 0.0491
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0151 0.0151
Schistosoma mansoni chromobox protein 0.0136 0.0841 0.0841
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.1164 0.2345
Echinococcus multilocularis 0.0056 0.0247 0.0247
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0103 0.0208
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.0862 0.5161
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0103 0.1088
Loa Loa (eye worm) hypothetical protein 0.0106 0.0621 0.143
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0238
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0193 0.0193
Brugia malayi mbt repeat family protein 0.0048 0.0193 0.0444
Schistosoma mansoni tyrosine kinase 0.0181 0.1173 0.1173
Loa Loa (eye worm) hypothetical protein 0.0049 0.0195 0.0449
Brugia malayi hypothetical protein 0.0077 0.0403 0.0929
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0067 0.0067
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.0862 0.5375
Brugia malayi latrophilin 2 splice variant baaae 0.0339 0.2339 0.5385
Loa Loa (eye worm) MBCTL1 0.0055 0.0242 0.0558
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0103 0.0248
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.0434 0.276
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0157 0.0994 0.0994
Schistosoma mansoni hypothetical protein 0.0507 0.3576 0.3576
Loa Loa (eye worm) hypothetical protein 0.0077 0.0403 0.0929
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0122 0.0122
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 0.7581
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0045 0.0045
Toxoplasma gondii ABC1 family protein 0.0036 0.0103 0.0295
Onchocerca volvulus 0.0695 0.4964 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0154 0.0975 0.5927
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Loa Loa (eye worm) CHromoDomain protein family member 0.0031 0.0062 0.0142
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0067 0.0424
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0235 0.1574 0.1574
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0242 0.0242
Echinococcus multilocularis peregrin 0.0031 0.0062 0.0062
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0157 0.0994 0.0994
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0046 0.0046
Plasmodium vivax SET domain protein, putative 0.009 0.0498 0.3163
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.1938 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.0434 0.276
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0235 0.1574 0.4492
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Loa Loa (eye worm) hypothetical protein 0.0048 0.0193 0.0444
Loa Loa (eye worm) TK/EGFR protein kinase 0.0181 0.1173 0.27
Loa Loa (eye worm) hypothetical protein 0.0496 0.3498 0.8052
Echinococcus multilocularis insulin receptor 0.0059 0.0268 0.0268
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0193 0.0193
Schistosoma mansoni bromodomain containing protein 0.0069 0.0341 0.0341
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0048 0.019 0.0383
Echinococcus granulosus jumonji domain containing protein 0.004 0.0127 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Schistosoma mansoni tyrosine kinase 0.0096 0.0542 0.0542
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0103 0.0103
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.1244 0.1244
Echinococcus granulosus geminin 0.0507 0.3576 0.3576
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.0403 0.1151
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0193 0.0193
Echinococcus granulosus Chromobox protein 3 0.0022 0.000000026976 0.000000026976
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.033 0.7822
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0067 0.0067
Brugia malayi Bromodomain containing protein 0.008 0.0426 0.0981
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0048 0.019 0.0383
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0031 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0235 0.1574 0.3623
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0048 0.019 0.0383
Brugia malayi beta-lactamase family protein 0.0036 0.0103 0.0238
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0491 0.0491
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0067 0.0067
Trichomonas vaginalis esterase, putative 0.0036 0.0103 0.0208
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0096 0.0096
Brugia malayi Pre-SET motif family protein 0.0611 0.4344 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0106 0.0621 0.0621
Echinococcus granulosus GPCR family 2 0.0157 0.0994 0.0994
Trichomonas vaginalis set domain proteins, putative 0.0695 0.4964 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0193 0.0193
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0403 0.2563
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0235 0.1574 0.1574
Echinococcus granulosus histone lysine methyltransferase setb 0.0106 0.0621 0.0621
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.009 0.0498 0.1421
Schistosoma mansoni tyrosine kinase 0.0096 0.0542 0.0542
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0193 0.0193
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.1547 1
Schistosoma mansoni hypothetical protein 0.0294 0.2008 0.2008
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0193 0.0193
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0036 0.0102 0.0205
Echinococcus granulosus chromobox protein 1 0.0136 0.0841 0.0841
Brugia malayi PHD-finger family protein 0.0031 0.0064 0.0146
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0242 0.0242
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0399 0.0804
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0106 0.0621 0.0621
Brugia malayi CXXC zinc finger family protein 0.0114 0.0675 0.1553
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0103 0.1088
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0315 0.0315
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0103 0.0248
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1757 0.3539
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Brugia malayi Heterochromatin protein 1 0.0136 0.0841 0.1936
Brugia malayi hypothetical protein 0.0147 0.0923 0.2125
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.1191 0.2742
Brugia malayi Probable ClpP-like protease 0.0235 0.1574 0.3623
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0497 0.3504 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0157 0.0994 0.2289
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0084 0.0456 0.0456
Toxoplasma gondii hypothetical protein 0.0081 0.0434 0.124
Echinococcus granulosus zinc finger protein 0.0026 0.0025 0.0025
Loa Loa (eye worm) beta-lactamase 0.0036 0.0103 0.0238
Brugia malayi F/Y-rich N-terminus family protein 0.0049 0.0198 0.0455
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0234 0.0472
Onchocerca volvulus 0.006 0.0277 0.0559
Loa Loa (eye worm) latrophilin receptor protein 2 0.0157 0.0994 0.2289
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1757 0.3539
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1757 0.3539
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.033 0.7822
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.026
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0157 0.0994 0.2289
Brugia malayi MH2 domain containing protein 0.0237 0.1583 0.3644
Echinococcus multilocularis epidermal growth factor receptor 0.0181 0.1173 0.1173
Schistosoma mansoni tyrosine kinase 0.0059 0.0268 0.0268
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0103 0.0248
Toxoplasma gondii histone lysine methyltransferase SET1 0.0221 0.1466 0.4184
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.1164 0.2345
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0154 0.0975 0.6136
Onchocerca volvulus 0.0036 0.0103 0.0208
Schistosoma mansoni cpg binding protein 0.0122 0.0736 0.0736
Loa Loa (eye worm) heterochromatin protein 1 0.0136 0.0841 0.1936
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0242 0.0242
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0026 0.0052
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0154 0.0975 0.6136
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0193 0.0444
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0045 0.0104
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0048 0.019 0.0383
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0045 0.0045
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0103 0.0208
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0151 0.0347
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.1191 0.2742
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0242 0.0242
Mycobacterium tuberculosis Conserved protein 0.0036 0.0103 0.0248
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0076 0.0399 0.0919
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.1938 0.3903
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0103 0.0103
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0103 0.0238
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0059 0.0268 0.0268
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0067 0.019
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.1938 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0034 0.0088 0.0177
Brugia malayi hypothetical protein 0.005 0.0202 0.0465
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0235 0.1574 1
Schistosoma mansoni hypothetical protein 0.0339 0.2339 0.2339
Brugia malayi jmjC domain containing protein 0.0093 0.0522 0.1202
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0522 0.0522
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.033 0.033
Loa Loa (eye worm) CXXC zinc finger family protein 0.0114 0.0675 0.1553
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0048 0.019 0.0383
Leishmania major hypothetical protein, conserved 0.0036 0.0103 0.1088
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0082 0.0442 0.089
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0498 0.0498
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0112 0.0662 0.0662
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0522 0.0522
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0103 0.0103
Echinococcus multilocularis epidermal growth factor receptor 0.0098 0.0557 0.0557
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0122 0.0122
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0067 0.019
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0067 0.0154
Echinococcus multilocularis microtubule associated protein 2 0.1377 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0103 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0234 0.0472
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.1096 0.2208
Schistosoma mansoni microtubule-associated protein tau 0.1377 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.1102 0.2221
Leishmania major hypothetical protein, conserved 0.0077 0.0403 1
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.0403 0.2563
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0048 0.019 0.0383

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 10 % Antiproliferative activity against human HT-29 cells after 72 hrs by MTS assay ChEMBL. 21353546
Activity (functional) = 35 % Antiproliferative activity against human PC3 cells after 72 hrs by MTS assay ChEMBL. 21353546
IC50 (binding) = 0.09 uM Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation after 1 hr ChEMBL. 21353546
IC50 (binding) = 0.09 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 (functional) = 6.3 uM Antiproliferative activity against human MCF7 cells after 72 hrs by MTS assay ChEMBL. 22229669
IC50 (functional) = 6.4 uM Antiproliferative activity against human MCF7 cells at 10 uM after 72 hrs by MTS assay ChEMBL. 21353546
IC50 (binding) > 10 uM Inhibition of human EGFR-mediated poly(Glu4Tyr) phosphorylation after 1 hr ChEMBL. 21353546
IC50 (binding) > 10 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) = 35 % Antiproliferative activity against human PC3 cells at 10 uM after 72 hrs by MTS assay ChEMBL. 22229669

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21353546

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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