Detailed information for compound 312491

Basic information

Technical information
  • TDR Targets ID: 312491
  • Name: (E)-N-[4-(3-chloro-4-phenylmethoxyanilino)-3- cyano-7-ethoxyquinolin-6-yl]-4-thiomorpholin- 4-ylbut-2-enamide
  • MW: 614.157 | Formula: C33H32ClN5O3S
  • H donors: 2 H acceptors: 3 LogP: 6.33 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN1CCSCC1)Nc1ccc(c(c1)Cl)OCc1ccccc1)C#N
  • InChi: 1S/C33H32ClN5O3S/c1-2-41-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-43-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)42-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+
  • InChiKey: DVUATEKKQZRNJW-RMKNXTFCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-N-[4-(4-benzyloxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-thiomorpholino-but-2-enamide
  • (E)-N-[4-(4-benzyloxy-3-chloroanilino)-3-cyano-7-ethoxy-6-quinolyl]-4-thiomorpholino-2-butenamide
  • (E)-N-[4-[(3-chloro-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-thiomorpholin-4-yl-but-2-enamide
  • (E)-N-[4-(4-benzoxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-thiomorpholino-but-2-enamide
  • (E)-N-[4-[[3-chloro-4-(phenylmethoxy)phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-thiomorpholin-4-ylbut-2-enamide
  • (E)-N-[4-[[3-chloro-4-(phenylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-4-thiomorpholino-but-2-enamide
  • (E)-N-[4-[[3-chloro-4-(phenylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-4-thiomorpholinobut-2-enamide
  • (E)-N-[4-[[4-(benzyloxy)-3-chloro-phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-4-thiomorpholino-but-2-enamide
  • (E)-N-[4-[[3-chloro-4-(phenylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-thiomorpholin-4-yl-but-2-enamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens erb-b2 receptor tyrosine kinase 2 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
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
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 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
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
Echinococcus granulosus melanoma receptor tyrosine protein kinase 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 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 Receptor tyrosine-protein kinase erbB-4 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 expressed 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
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 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
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 japonicum IPR000494,EGF receptor, L domain,domain-containing 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-2 precursor, putative 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
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
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0077 0.019
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.0459 0.1172
Loa Loa (eye worm) hypothetical protein 0.011 0.0157 0.2501
Brugia malayi hypothetical protein 0.002 0.0008 0.0008
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.006 0.0144
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0107 0.0153 0.0393
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0089 0.0089
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0092 0.0229
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.018 0.2866
Brugia malayi mbt repeat family protein 0.0026 0.0019 0.0019
Onchocerca volvulus 0.0055 0.0066 0.0971
Entamoeba histolytica hypothetical protein 0.002 0.0008 0.0013
Brugia malayi hypothetical protein 0.0022 0.0011 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0026 0.0019 0.0019
Brugia malayi Cytochrome P450 family protein 0.0025 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0026 0.0019 0.0295
Brugia malayi Pre-SET motif family protein 0.0055 0.0066 0.0066
Onchocerca volvulus Huntingtin homolog 0.0134 0.0197 0.2887
Brugia malayi photoreceptor-specific nuclear receptor 0.0026 0.0019 0.0019
Echinococcus granulosus SAM and MBT domain containing protein 0.0026 0.0019 0.0048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 0.0241 0.3838
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0026 0.0019 0.0045
Echinococcus granulosus epidermal growth factor receptor 0.0194 0.0295 0.0757
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0011 0.0028
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0019 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0066 0.0066
Echinococcus granulosus Zinc finger DBF type 0.0553 0.0887 0.228
Echinococcus multilocularis insulin receptor 0.0115 0.0165 0.04
Echinococcus multilocularis SAM and MBT domain containing protein 0.0026 0.0019 0.0045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0026 0.0019 0.0295
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0005 0.0013
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.018 0.018
Echinococcus granulosus histone lysine methyltransferase setb 0.0055 0.0066 0.017
Brugia malayi Pre-SET motif family protein 0.0376 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.0123 0.0178 0.2837
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0026 0.0019 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0066 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.055 0.0882 0.2262
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0092 0.0092
Brugia malayi beta-lactamase 0.007 0.0092 0.0092
Echinococcus multilocularis microtubule associated protein 2 0.1155 0.188 0.4549
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0089 0.0079
Onchocerca volvulus 0.0022 0.0011 0.0166
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0089 0.0089
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0092 0.0229
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0026 0.0019 0.0019
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.003 0.0025 0.0025
Brugia malayi CXXC zinc finger family protein 0.0051 0.0061 0.0061
Schistosoma mansoni coup transcription factor 0.0026 0.0019 0.0019
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0022 0.0011 0.018
Echinococcus granulosus GPCR family 2 0.0051 0.006 0.0153
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 0.0241 0.0241
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0015 0.0001 0.0001
Echinococcus multilocularis geminin 0.0327 0.0515 0.1246
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0061 0.0077 0.0066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0026 0.0019 0.0295
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0092 0.0081
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0019 0.0045
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0026 0.0019 0.0048
Schistosoma mansoni cpg binding protein 0.0054 0.0065 0.0065
Loa Loa (eye worm) TAR-binding protein 0.0124 0.018 0.2866
Echinococcus granulosus aryl hydrocarbon receptor 0.0022 0.0011 0.0029
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0089 0.023
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2375 0.389 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.006 0.0949
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0019 0.0019
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0092 0.0081
Schistosoma mansoni tyrosine kinase 0.0194 0.0295 0.0295
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0011 1
Schistosoma mansoni hypothetical protein 0.0327 0.0515 0.0515
Brugia malayi RNA binding protein 0.0124 0.018 0.018
Echinococcus multilocularis ecdysone induced protein 78C 0.0026 0.0019 0.0045
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0092 0.0229
Schistosoma mansoni hypothetical protein 0.2519 0.4127 0.4127
Echinococcus granulosus lamin 0.0015 0.0000030408 0.0000078171
Onchocerca volvulus 0.0428 0.0681 1
Schistosoma mansoni tyrosine kinase 0.0115 0.0165 0.0165
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0092 0.0236
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.0459 0.1172
Echinococcus granulosus histone acetyltransferase MYST2 0.003 0.0025 0.0064
Schistosoma mansoni sex comb on midleg homolog 0.0026 0.0019 0.0019
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0026 0.0019 0.0045
Brugia malayi 6-phosphofructokinase 0.0061 0.0077 0.0077
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0005 0.0013
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0089 0.0079
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0092 0.0229
Trichomonas vaginalis set domain proteins, putative 0.0428 0.0681 0.1745
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.6082 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2375 0.389 0.9414
Leishmania major dihydroorotate dehydrogenase 0.6082 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0077 0.019
Schistosoma mansoni steroid hormone receptor ad4bp 0.0026 0.0019 0.0019
Toxoplasma gondii ABC1 family protein 0.007 0.0092 0.0089
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0092 0.0081
Mycobacterium ulcerans lipase LipD 0.007 0.0092 0.0081
Echinococcus multilocularis thyroid hormone receptor alpha 0.0026 0.0019 0.0045
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0026 0.0019 0.0275
Entamoeba histolytica phosphofructokinase, putative 0.0061 0.0077 0.019
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0019 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0026 0.0019 0.0295
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.6082 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.0198 0.3156
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0092 0.0081
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0092 0.0229
Echinococcus granulosus survival motor neuron protein 1 0.0396 0.0628 0.1615
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.6082 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0026 0.0019 0.0019
Echinococcus granulosus intermediate filament protein 0.0015 0.0000030408 0.0000078171
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0026 0.0019 0.0019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.006 0.0144
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0005 0.0082
Loa Loa (eye worm) hypothetical protein 0.0055 0.0066 0.1054
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Loa Loa (eye worm) hypothetical protein 0.0134 0.0197 0.3132
Toxoplasma gondii exonuclease III APE 0.0021 0.0011 0.0008
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0011 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.031 0.0789
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0066 0.0066
Echinococcus multilocularis survival motor neuron protein 1 0.0396 0.0628 0.152
Echinococcus granulosus epidermal growth factor receptor 0.036 0.0569 0.1464
Mycobacterium ulcerans hypothetical protein 0.007 0.0092 0.0081
Echinococcus granulosus geminin 0.0327 0.0515 0.1324
Loa Loa (eye worm) TK/INSR protein kinase 0.0115 0.0165 0.2632
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0011 0.018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0161 0.0241 0.0241
Schistosoma mansoni tar DNA-binding protein 0.0124 0.018 0.018
Brugia malayi Latrophilin receptor protein 2 0.0051 0.006 0.006
Onchocerca volvulus 0.0081 0.0109 0.1595
Echinococcus multilocularis 6 phosphofructokinase 0.0061 0.0077 0.0186
Loa Loa (eye worm) hypothetical protein 0.0134 0.0197 0.3132
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0026 0.0019 0.0048
Echinococcus granulosus insulin receptor 0.0115 0.0165 0.0425
Entamoeba histolytica hypothetical protein 0.002 0.0008 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0124 0.018 0.018
Echinococcus granulosus 6 phosphofructokinase 0.0061 0.0077 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0026 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0298
Echinococcus multilocularis cpg binding protein 0.0054 0.0065 0.0158
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0011 0.0008
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2375 0.389 0.9414
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.031 0.0789
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.002 0.0008 0.002
Echinococcus granulosus lamin dm0 0.0015 0.0000030408 0.0000078171
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0376 0.0596 0.9487
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0092 0.0081
Entamoeba histolytica phosphofructokinase, putative 0.0061 0.0077 0.019
Loa Loa (eye worm) hypothetical protein 0.007 0.0092 0.1461
Entamoeba histolytica phosphofructokinase, putative 0.0061 0.0077 0.019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0198 0.0198
Loa Loa (eye worm) phosphofructokinase 0.0061 0.0077 0.122
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0293 0.0459 0.0459
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.6082 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0011 0.0026
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0011 0.1068
Schistosoma mansoni lamin 0.0015 0.0000030408 0.0000030408
Onchocerca volvulus Protein ultraspiracle homolog 0.0026 0.0019 0.0272
Onchocerca volvulus Bile acid receptor homolog 0.0026 0.0019 0.0272
Trichomonas vaginalis conserved hypothetical protein 0.055 0.0882 0.2262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0026 0.0019 0.0295
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0194 0.0295 0.0757
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0107 0.0153 0.037
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.6082 1 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0061 0.0077 0.0066
Loa Loa (eye worm) hypothetical protein 0.0123 0.0178 0.2837
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0026 0.0019 0.0019
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2375 0.389 1
Brugia malayi TAR-binding protein 0.0124 0.018 0.018
Brugia malayi phosphofructokinase 0.0061 0.0077 0.0077
Brugia malayi mbt repeat family protein 0.0026 0.0019 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0055 0.0066 0.0066
Echinococcus granulosus ecdysone induced protein 78C 0.0026 0.0019 0.0048
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0019 0.0045
Onchocerca volvulus 0.007 0.0092 0.1347
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0015 0.0001 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.006 0.006
Echinococcus multilocularis lamin 0.0015 0.0000030408 0.0000073594
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0055 0.0066 0.016
Schistosoma mansoni retinoic acid receptor RXR 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0009
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2375 0.389 1
Schistosoma mansoni hypothetical protein 0.002 0.0008 0.0008
Echinococcus granulosus polycomb protein SCMH1 0.0026 0.0019 0.0048
Schistosoma mansoni ap endonuclease 0.0021 0.0011 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.0459 0.1172
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0019 0.0019
Echinococcus multilocularis epidermal growth factor receptor 0.0194 0.0295 0.0713
Schistosoma mansoni lamin 0.0015 0.0000030408 0.0000030408
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.0157 0.0157
Brugia malayi nuclear receptor NHR-88 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.007 0.0092 0.1461
Echinococcus granulosus tar DNA binding protein 0.0124 0.018 0.0463
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.006 0.0153
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0733 0.1185 0.1185
Loa Loa (eye worm) RNA binding protein 0.0124 0.018 0.2866
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.007 0.0092 0.1461
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2375 0.389 0.3883
Schistosoma mansoni hypothetical protein 0.0051 0.006 0.006
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0005 0.0005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0019 0.0019
Loa Loa (eye worm) MBCTL1 0.003 0.0025 0.0393
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0055 0.0066 0.016
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2375 0.389 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0019 0.0048
Loa Loa (eye worm) CXXC zinc finger family protein 0.0051 0.0061 0.0963
Brugia malayi Muscleblind-like protein 0.0123 0.0178 0.0178
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0061 0.0077 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.6082 1 1
Schistosoma mansoni cpg binding protein 0.0051 0.0061 0.0061
Onchocerca volvulus 0.0051 0.0061 0.0888
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0026 0.0019 0.0295
Schistosoma mansoni ap endonuclease 0.0021 0.0011 0.0011
Brugia malayi hypothetical protein 0.0015 0.0001 0.0001
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0081 0.0109 0.0109
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.006 0.0949
Onchocerca volvulus 0.0026 0.0019 0.0275
Mycobacterium leprae Probable lipase LipE 0.007 0.0092 0.0015
Echinococcus multilocularis FTZ F1 alpha 0.0026 0.0019 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0124 0.018 0.018
Brugia malayi nuclear hormone receptor 0.0026 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.011 0.0157 0.0157
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0026 0.0019 0.0019
Schistosoma mansoni RAR-like nuclear receptor 0.0026 0.0019 0.0019
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0076 0.1205
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0052 0.0061 0.0157
Onchocerca volvulus 0.0026 0.0019 0.0272
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0015 0.0001 0.0001
Echinococcus multilocularis musashi 0.0015 0.0000030408 0.0000073594
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0089 0.0216
Brugia malayi Zinc finger, C2H2 type family protein 0.2375 0.389 0.389
Echinococcus multilocularis tar DNA binding protein 0.0124 0.018 0.0436
Echinococcus multilocularis muscleblind protein 0.0123 0.0178 0.0431
Schistosoma mansoni microtubule-associated protein tau 0.1155 0.188 0.188
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0111 0.0159 0.0159
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.003 0.0025 0.0064
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0092 0.0081
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0092 0.0081
Schistosoma mansoni sex comb on midleg homolog 0.0026 0.0019 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.0198 0.051
Schistosoma mansoni tar DNA-binding protein 0.0124 0.018 0.018
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.0198 0.0198
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0026 0.0019 0.0048
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0089 0.0079
Schistosoma mansoni hypothetical protein 0.0081 0.0109 0.0109
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.6082 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0055 0.0066 0.0063
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0061 0.0077 0.0066
Echinococcus multilocularis epidermal growth factor receptor 0.036 0.0569 0.1378
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0019 0.0019
Schistosoma mansoni dihydroorotate dehydrogenase 0.6082 1 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0015 0.0001 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0026 0.0019 0.0019
Mycobacterium leprae conserved hypothetical protein 0.007 0.0092 0.0015
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0089 0.0079
Onchocerca volvulus Glucosylceramidase homolog 0.0192 0.0293 0.4293
Leishmania major hypothetical protein, conserved 0.007 0.0092 0.0081
Plasmodium falciparum dihydroorotate dehydrogenase 0.6082 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2375 0.389 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2375 0.389 1
Plasmodium vivax SET domain protein, putative 0.0055 0.0066 0.0063
Brugia malayi beta-lactamase family protein 0.007 0.0092 0.0092
Onchocerca volvulus Protein cycle homolog 0.0015 0.0001 0.0009
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0011 0.002
Trichomonas vaginalis esterase, putative 0.007 0.0092 0.0229
Schistosoma mansoni tyrosine kinase 0.0194 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.007 0.0092 0.1461
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.6082 1 1
Echinococcus multilocularis 0.0111 0.0159 0.0386
Brugia malayi beta-lactamase family protein 0.007 0.0092 0.0092
Echinococcus granulosus FTZ F1 alpha 0.0026 0.0019 0.0048
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.0198 0.051
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0092 0.0081
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0092 0.0081
Brugia malayi steroid hormone receptor 0.0026 0.0019 0.0019
Echinococcus multilocularis lamin dm0 0.0015 0.0000030408 0.0000073594
Mycobacterium ulcerans beta-lactamase 0.007 0.0092 0.0081
Plasmodium vivax hypothetical protein, conserved 0.007 0.0092 0.0089
Brugia malayi ecdysteroid receptor 0.0026 0.0019 0.0019
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2375 0.389 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Echinococcus multilocularis muscleblind protein 1 0.0123 0.0178 0.0431
Brugia malayi Protein kinase domain containing protein 0.0115 0.0165 0.0165
Brugia malayi Steroid receptor seven-up type 2 0.0026 0.0019 0.0019
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0115 0.0165 0.04
Schistosoma mansoni tyrosine kinase 0.0191 0.0291 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.0459 0.1172
Schistosoma mansoni tyrosine kinase 0.0191 0.0291 0.0291
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0026 0.0019 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0026 0.0019 0.0019
Echinococcus granulosus microtubule associated protein 2 0.1155 0.188 0.4832
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0115 0.0165 0.0425
Echinococcus multilocularis dnaJ subfamily B 0.0733 0.1185 0.2867
Schistosoma mansoni cpg binding protein 0.0054 0.0065 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0124 0.018 0.018
Loa Loa (eye worm) 6-phosphofructokinase 0.0061 0.0077 0.122
Schistosoma mansoni myelin transcription factor 1 myt1 0.003 0.0025 0.0025
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0019 0.0019
Brugia malayi hypothetical protein 0.0015 0.0001 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0026 0.0019 0.0295
Loa Loa (eye worm) TK/EGFR protein kinase 0.036 0.0569 0.9064
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0011 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1563 0.2552 0.6176
Schistosoma mansoni tyrosine kinase 0.0115 0.0165 0.0165
Schistosoma mansoni intermediate filament proteins 0.0015 0.0000030408 0.0000030408
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.6082 1 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0061 0.0077 0.122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0198 0.0198
Entamoeba histolytica hypothetical protein 0.002 0.0008 0.0013
Echinococcus multilocularis polycomb protein SCMH1 0.0026 0.0019 0.0045
Echinococcus granulosus cpg binding protein 0.0054 0.0065 0.0168
Loa Loa (eye worm) hypothetical protein 0.003 0.0025 0.0393
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.0198 0.048
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.0459 0.1172
Entamoeba histolytica hypothetical protein 0.002 0.0008 0.0013
Loa Loa (eye worm) hypothetical protein 0.0396 0.0628 1
Schistosoma mansoni hypothetical protein 0.0163 0.0245 0.0245
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.003 0.0025 0.006
Schistosoma mansoni hypothetical protein 0.0051 0.006 0.006
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0077 0.019
Loa Loa (eye worm) hypothetical protein 0.007 0.0092 0.1461
Brugia malayi hypothetical protein 0.0134 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0161 0.0241 0.3838
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0026 0.0019 0.0048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.0198 0.048
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0026 0.0019 0.0272
Mycobacterium ulcerans 6-phosphofructokinase 0.0061 0.0077 0.0066
Echinococcus granulosus dnaJ subfamily B 0.0733 0.1185 0.3045
Mycobacterium tuberculosis Possible penicillin-binding protein 0.045 0.0718 0.0708
Schistosoma mansoni hypothetical protein 0.0051 0.006 0.006
Schistosoma mansoni survival motor neuron protein 0.0081 0.0109 0.0109
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0011 0.002
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0293 0.0459 0.7301
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0019 0.0048
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0092 0.0081
Schistosoma mansoni transcription factor LCR-F1 0.002 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0092 0.0081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.006 0.0153
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0092 0.0222
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.002 0.0008 0.0021
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0092 0.1461
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0026 0.0019 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0009
Mycobacterium tuberculosis Conserved protein 0.007 0.0092 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0077 0.019
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0009
Onchocerca volvulus Huntingtin homolog 0.0134 0.0197 0.2887
Echinococcus multilocularis Zinc finger, DBF type 0.2521 0.4132 1
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0092 0.0081
Toxoplasma gondii histone lysine methyltransferase SET1 0.01 0.014 0.0137
Loa Loa (eye worm) beta-lactamase 0.007 0.0092 0.1461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0011 0.0008
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0011 0.0172
Echinococcus multilocularis GPCR, family 2 0.0051 0.006 0.0144
Loa Loa (eye worm) hypothetical protein 0.007 0.0092 0.1461
Schistosoma mansoni tyrosine kinase 0.036 0.0569 0.0569
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0026 0.0019 0.0045
Mycobacterium tuberculosis Conserved protein 0.007 0.0092 0.0081
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0026 0.0019 0.0048
Leishmania major ATP-dependent phosphofructokinase 0.0061 0.0077 0.0066
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.6082 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2375 0.389 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0017 0.0003 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0026 0.0019 0.0298
Schistosoma mansoni hypothetical protein 0.0327 0.0515 0.0515
Onchocerca volvulus 0.007 0.0092 0.1347
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.6082 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0293 0.0745
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0017 0.0003 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0293 0.0459 0.1172
Schistosoma mansoni 6-phosphofructokinase 0.0061 0.0077 0.0077
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0015 0.0001 0.0001
Onchocerca volvulus 0.007 0.0092 0.1347
Schistosoma mansoni tyrosine kinase 0.0191 0.0291 0.0291
Schistosoma mansoni hypothetical protein 0.0051 0.006 0.006
Loa Loa (eye worm) steroid hormone receptor 0.0026 0.0019 0.0295
Echinococcus granulosus muscleblind protein 0.0123 0.0178 0.0458
Brugia malayi hypothetical protein 0.0396 0.0628 0.0628
Echinococcus multilocularis histone acetyltransferase MYST2 0.003 0.0025 0.006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0026 0.0019 0.0019
Schistosoma mansoni 6-phosphofructokinase 0.0061 0.0077 0.0077
Brugia malayi Furin-like cysteine rich region family protein 0.036 0.0569 0.0569
Brugia malayi 6-phosphofructokinase 0.0061 0.0077 0.0077
Echinococcus multilocularis aryl hydrocarbon receptor 0.0022 0.0011 0.0027
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0017 0.0278
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2375 0.389 1
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0295
Mycobacterium tuberculosis Conserved protein 0.007 0.0092 0.0081

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.016 uM Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation ChEMBL. 15715478
IC50 (functional) = 0.016 uM Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation ChEMBL. 15715478
IC50 (functional) = 0.029 uM Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation ChEMBL. 15715478
IC50 (functional) = 0.029 uM Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation ChEMBL. 15715478
IC50 (functional) = 0.0456 uM Inhibition of human SKBr3 cell proliferation ChEMBL. 15715478
IC50 (functional) = 0.0456 uM Inhibition of human SKBr3 cell proliferation ChEMBL. 15715478
IC50 (functional) = 0.127 uM Inhibition of human A431 cell proliferation ChEMBL. 15715478
IC50 (functional) = 0.127 uM Inhibition of human A431 cell proliferation ChEMBL. 15715478
IC50 (functional) = 5.862 uM Inhibition of human SW620 cell proliferation ChEMBL. 15715478
IC50 (functional) = 5.862 uM Inhibition of human SW620 cell proliferation ChEMBL. 15715478

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15715478

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

1 literature reference was collected for this gene.

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