Detailed information for compound 1589694

Basic information

Technical information
  • TDR Targets ID: 1589694
  • Name: diethyl (E)-2-[3-[[3-(4-acetyloxybutyl)triazo l-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2- enedioate
  • MW: 477.468 | Formula: C21H27N5O8
  • H donors: 0 H acceptors: 7 LogP: 0.01 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C(=C\C(=O)OCC)/n1ccc(=O)n(c1=O)Cc1cnnn1CCCCOC(=O)C
  • InChi: 1S/C21H27N5O8/c1-4-32-19(29)12-17(20(30)33-5-2)24-10-8-18(28)25(21(24)31)14-16-13-22-23-26(16)9-6-7-11-34-15(3)27/h8,10,12-13H,4-7,9,11,14H2,1-3H3/b17-12+
  • InChiKey: NUGBRNBQTLBKPJ-SFQUDFHCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • diethyl 2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate
  • diethyl (E)-2-[3-[[3-(4-acetoxybutyl)triazol-4-yl]methyl]-2,4-dioxo-pyrimidin-1-yl]but-2-enedioate
  • diethyl 2-[3-[[3-(4-acetoxybutyl)triazol-4-yl]methyl]-2,4-dioxo-pyrimidin-1-yl]but-2-enedioate
  • 2-[3-[[3-(4-acetoxybutyl)-4-triazolyl]methyl]-2,4-dioxo-1-pyrimidinyl]but-2-enedioic acid diethyl ester
  • (E)-2-[3-[[3-(4-acetoxybutyl)-4-triazolyl]methyl]-2,4-dioxo-1-pyrimidinyl]but-2-enedioic acid diethyl ester
  • 2-[3-[[3-(4-acetoxybutyl)triazol-4-yl]methyl]-2,4-diketo-pyrimidin-1-yl]but-2-enedioic acid diethyl ester
  • (E)-2-[3-[[3-(4-acetoxybutyl)triazol-4-yl]methyl]-2,4-diketo-pyrimidin-1-yl]but-2-enedioic acid diethyl ester
  • diethyl 2-[3-[[3-(4-acetyloxybutyl)-1,2,3-triazol-4-yl]methyl]-2,4-dioxo-pyrimidin-1-yl]but-2-enedioate
  • diethyl (E)-2-[3-[[3-(4-acetyloxybutyl)-1,2,3-triazol-4-yl]methyl]-2,4-dioxo-pyrimidin-1-yl]but-2-enedioate
  • NCI60_033630
  • NCI60_033634
  • NSC693994

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 multilocularis hemicentin 1 0.0052 0.0018 0.0023
Loa Loa (eye worm) cytochrome P450 family protein 0.0439 0.067 0.2255
Toxoplasma gondii aurora kinase 0.0661 0.1043 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0486 0.0749 0.107
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1808 0.2973 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.0061
Brugia malayi hypothetical protein 0.0243 0.0339 0.1141
Brugia malayi Cytochrome P450 family protein 0.1015 0.164 0.5517
Onchocerca volvulus 0.1181 0.1918 0.6441
Plasmodium falciparum serine/threonine protein kinase, putative 0.0661 0.1043 0.5
Leishmania major cytochrome p450-like protein 0.0268 0.0381 0.1277
Echinococcus granulosus cytochrome P450 2K1 0.0268 0.0381 0.0543
Entamoeba histolytica protein kinase, putative 0.0661 0.1043 0.3506
Echinococcus multilocularis roundabout 2 0.0055 0.0024 0.0031
Echinococcus multilocularis hemicentin 1 0.0052 0.0018 0.0023
Loa Loa (eye worm) hypothetical protein 0.0291 0.042 0.1413
Schistosoma mansoni cell adhesion molecule 0.0052 0.0018 0.0016
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0018 0.006
Leishmania major protein kinase, putative 0.0661 0.1043 0.3506
Brugia malayi serine/threonine-protein kinase plk-2 0.1808 0.2973 1
Trypanosoma brucei cytochrome P450, putative 0.0439 0.067 0.225
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0046 0.0008 0.0029
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0049 0.0014 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0268 0.0381 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0268 0.0381 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0661 0.1043 0.3506
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0268 0.0381 0.5
Schistosoma mansoni septate junction protein 0.0052 0.0018 0.0016
Schistosoma mansoni hypothetical protein 0.0268 0.0381 0.038
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0055 0.0024 0.0022
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0018 0.006
Loa Loa (eye worm) hypothetical protein 0.0243 0.0339 0.1141
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0661 0.1043 0.1491
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0268 0.0381 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.054 0.0839 0.2818
Toxoplasma gondii cytochrome p450 superfamily protein 0.0268 0.0381 0.3644
Brugia malayi Glycosyl hydrolases family 31 protein 0.019 0.025 0.0842
Loa Loa (eye worm) hypothetical protein 0.0243 0.0339 0.1141
Echinococcus granulosus neuroglian 0.0265 0.0376 0.0536
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.054 0.0839 0.2818
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0268 0.0381 0.5
Brugia malayi cytochrome P450 0.0268 0.0381 0.1283
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0018 0.006
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.006
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0268 0.0381 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.019 0.025 0.0356
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0008 0.0007
Echinococcus multilocularis tyrosine protein kinase otk 0.0052 0.0018 0.0023
Schistosoma mansoni nephrin 0.0268 0.0382 0.038
Echinococcus multilocularis aurora kinase A 0.0661 0.1043 0.1491
Trypanosoma brucei polo-like protein kinase 0.1808 0.2973 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0661 0.1043 0.5
Loa Loa (eye worm) cytochrome P450 0.0268 0.0381 0.1283
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Trypanosoma cruzi cytochrome P450, putative 0.0439 0.067 0.225
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0024 0.008
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0268 0.0381 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.054 0.0839 0.2818
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.4193 0.6987 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.0339 0.1141
Brugia malayi hypothetical protein 0.0312 0.0456 0.1534
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.019 0.025 0.0842
Brugia malayi Immunoglobulin I-set domain containing protein 0.1469 0.2403 0.8086
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.0024 0.008
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0121 0.0135 0.019
Echinococcus granulosus lachesin 0.0052 0.0018 0.0023
Echinococcus multilocularis neuroglian 0.0265 0.0376 0.0536
Schistosoma mansoni nephrin 0.0055 0.0024 0.0022
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0268 0.0381 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0049 0.0014 0.0048
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0002 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0268 0.0381 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0055 0.0024 0.0031
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Brugia malayi Cytochrome P450 family protein 0.0268 0.0381 0.1283
Echinococcus multilocularis roundabout 2 0.0294 0.0426 0.0607
Leishmania major cytochrome p450-like protein 0.0268 0.0381 0.1277
Echinococcus granulosus neuropeptide receptor A26 0.0538 0.0837 0.1196
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0268 0.0381 0.5
Brugia malayi Cytochrome P450 family protein 0.0439 0.067 0.2255
Loa Loa (eye worm) hypothetical protein 0.0172 0.022 0.074
Loa Loa (eye worm) TK protein kinase 0.0147 0.0178 0.0598
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0268 0.0381 0.1277
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0661 0.1043 0.1491
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0268 0.0381 0.1277
Schistosoma mansoni neuroglian 0.0055 0.0024 0.0022
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.054 0.0839 0.2818
Schistosoma mansoni alpha-glucosidase 0.0163 0.0206 0.0204
Schistosoma mansoni titin 0.0046 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.006
Echinococcus multilocularis twitchin 0.0042 0.0003 0.0001
Onchocerca volvulus Serine\/threonine kinase homolog 0.1808 0.2973 1
Onchocerca volvulus Tyrosine kinase homolog 0.123 0.2001 0.6721
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0052 0.0018 0.0032
Mycobacterium leprae Conserved hypothetical protein 0.0268 0.0381 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0024 0.008
Brugia malayi Prion-like- 0.0052 0.0018 0.006
Entamoeba histolytica protein kinase , putative 0.0661 0.1043 0.3506
Trypanosoma cruzi polo-like protein kinase, putative 0.1808 0.2973 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1469 0.2403 0.8086
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.006
Schistosoma mansoni cell adhesion molecule 0.0269 0.0383 0.0381
Echinococcus multilocularis lysosomal alpha glucosidase 0.019 0.025 0.0356
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0268 0.0381 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0055 0.0024 0.0031
Echinococcus multilocularis titin 0.0046 0.0008 0.0009
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.054 0.0839 0.2818
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0268 0.0381 0.1277
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0018 0.006
Echinococcus multilocularis neuroglian 0.0055 0.0024 0.0031
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0055 0.0024 0.0031
Echinococcus multilocularis lysosomal protective protein 0.054 0.0839 0.1199
Echinococcus granulosus Immunoglobulin 0.0239 0.0333 0.0474
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.054 0.0839 0.0837
Trichomonas vaginalis AGC family protein kinase 0.0661 0.1043 0.3506
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0268 0.0381 0.5
Echinococcus granulosus hemicentin 1 0.0052 0.0018 0.0023
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.054 0.0839 0.2818
Echinococcus multilocularis Immunoglobulin 0.0239 0.0333 0.0474
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0052 0.0018 0.0016
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.054 0.0839 0.2823
Echinococcus granulosus neuroglian 0.0055 0.0024 0.0031
Echinococcus multilocularis lysosomal alpha glucosidase 0.019 0.025 0.0356
Schistosoma mansoni serine/threonine protein kinase 0.0661 0.1043 0.1042
Echinococcus multilocularis roundabout 2 0.0055 0.0024 0.0031
Echinococcus multilocularis peroxidasin 0.0052 0.0018 0.0023
Onchocerca volvulus 0.011 0.0116 0.0362
Echinococcus multilocularis Immunoglobulin 0.0239 0.0333 0.0474
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1808 0.2973 0.4253
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0268 0.0381 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0268 0.0381 0.5
Brugia malayi serine/threonine protein kinase 6 0.0661 0.1043 0.351
Loa Loa (eye worm) hypothetical protein 0.0312 0.0456 0.1534
Echinococcus multilocularis neuropeptide receptor A26 0.0538 0.0837 0.1196
Loa Loa (eye worm) AUR protein kinase 0.0661 0.1043 0.351
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0268 0.0381 0.5
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0661 0.1043 0.3506
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0018 0.0023
Entamoeba histolytica protein kinase domain containing protein 0.0661 0.1043 0.3506
Brugia malayi Cytochrome P450 family protein 0.0439 0.067 0.2255
Echinococcus granulosus lysosomal protective protein 0.054 0.0839 0.1199
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.054 0.0839 0.0837
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0486 0.0749 0.107
Schistosoma mansoni cell adhesion molecule 0.0055 0.0024 0.0022
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0268 0.0381 0.5
Loa Loa (eye worm) CAMK protein kinase 0.0046 0.0008 0.0029
Echinococcus multilocularis neuropeptide s receptor 0.0538 0.0837 0.1196
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0003 0.0001
Schistosoma mansoni septate junction protein 0.0052 0.0018 0.0016
Echinococcus granulosus peroxidasin 0.0052 0.0018 0.0023
Trypanosoma cruzi aurora B kinase, putative 0.0661 0.1043 0.3506
Entamoeba histolytica protein kinase, putative 0.0661 0.1043 0.3506
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0268 0.0381 0.5
Echinococcus multilocularis lachesin 0.0052 0.0018 0.0023
Trypanosoma cruzi polo-like protein kinase, putative 0.1808 0.2973 1
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0053 0.0021 0.0019
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0055 0.0024 0.0031
Loa Loa (eye worm) hypothetical protein 0.054 0.0839 0.2823
Echinococcus granulosus roundabout 2 0.0294 0.0426 0.0607
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0002 0.0007
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0052 0.0018 0.006
Echinococcus granulosus tyrosine protein kinase otk 0.0052 0.0018 0.0023
Brugia malayi serine/threonine kinase 12 0.0661 0.1043 0.351
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.006
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.054 0.0839 0.2803
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0268 0.0381 0.5
Loa Loa (eye worm) hypothetical protein 0.0239 0.0334 0.1123
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0121 0.0135 0.019
Loa Loa (eye worm) CYP4Cod1 0.0439 0.067 0.2255
Entamoeba histolytica serine/threonine protein kinase, putative 0.1808 0.2973 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0121 0.0135 0.019
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0268 0.0381 0.1277
Loa Loa (eye worm) hypothetical protein 0.0265 0.0377 0.1268
Loa Loa (eye worm) AUR protein kinase 0.0661 0.1043 0.351
Echinococcus granulosus contactin 0.0055 0.0024 0.0031
Giardia lamblia Kinase, PLK 0.1808 0.2973 1
Schistosoma mansoni tyrosine kinase 0.0075 0.0058 0.0056
Trichomonas vaginalis AGC family protein kinase 0.0661 0.1043 0.3506
Schistosoma mansoni alpha-glucosidase 0.0163 0.0206 0.0204
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.006
Echinococcus granulosus neuropeptide s receptor 0.0538 0.0837 0.1196
Echinococcus granulosus twitchin 0.0281 0.0405 0.0577
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0268 0.0381 0.5
Schistosoma mansoni tyrosine kinase 0.0121 0.0135 0.0133
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0661 0.1043 0.3506
Mycobacterium leprae putative cytochrome p450 0.0268 0.0381 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0239 0.0333 0.0474
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0268 0.0381 0.5
Trichomonas vaginalis AGC family protein kinase 0.0661 0.1043 0.3506
Echinococcus granulosus titin 0.0046 0.0008 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0147 0.0178 0.0598
Schistosoma mansoni cell adhesion molecule 0.0055 0.0024 0.0022
Schistosoma mansoni cytochrome P450 0.0268 0.0381 0.038
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0072 0.0052 0.0175
Trichomonas vaginalis CAMK family protein kinase 0.1808 0.2973 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1808 0.2973 0.4253
Trypanosoma brucei aurora B kinase 0.0661 0.1043 0.3506
Loa Loa (eye worm) hypothetical protein 0.0239 0.0333 0.1121
Schistosoma mansoni serine/threonine protein kinase 0.1808 0.2973 0.2971
Echinococcus granulosus fibroblast growth factor receptor 4 0.0121 0.0135 0.019
Schistosoma mansoni roundabout 0.0052 0.0018 0.0016
Schistosoma mansoni vesicular amine transporter 0.0239 0.0333 0.0331
Loa Loa (eye worm) hypothetical protein 0.0239 0.0333 0.1121
Echinococcus granulosus roundabout 2 0.0055 0.0024 0.0031
Echinococcus granulosus titin 0.0046 0.0008 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0018 0.006
Loa Loa (eye worm) AUR protein kinase 0.0661 0.1043 0.351
Loa Loa (eye worm) cytochrome P450 family protein 0.0439 0.067 0.2255
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.054 0.0839 0.2818
Loa Loa (eye worm) hypothetical protein 0.0055 0.0024 0.008
Leishmania major cytochrome p450-like protein 0.0439 0.067 0.225
Echinococcus granulosus roundabout 2 0.0055 0.0024 0.0031
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1808 0.2973 1
Loa Loa (eye worm) cytochrome P450 family protein 0.1015 0.164 0.5517
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0055 0.0024 0.0031
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.054 0.0839 0.2818
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0052 0.0018 0.006
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0265 0.0377 0.0537
Trypanosoma cruzi cytochrome P450, putative 0.0439 0.067 0.225
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0268 0.0381 0.1277
Echinococcus granulosus defective proboscis extension response 0.0239 0.0333 0.0474
Schistosoma mansoni protein kinase 0.0661 0.1043 0.1042
Schistosoma mansoni titin 0.0052 0.0018 0.0016
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0239 0.0333 0.0331
Echinococcus multilocularis 0.0268 0.0381 0.0543
Loa Loa (eye worm) hypothetical protein 0.0052 0.0018 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0008 0.0029
Brugia malayi Fibronectin type III domain containing protein 0.0243 0.0339 0.1141
Trichomonas vaginalis AGC family protein kinase 0.0661 0.1043 0.3506
Loa Loa (eye worm) hypothetical protein 0.0291 0.042 0.1413
Brugia malayi Peroxidasin 0.0052 0.0018 0.0061
Brugia malayi serine/threonine-protein kinase 6 0.0661 0.1043 0.351
Brugia malayi Immunoglobulin I-set domain containing protein 0.0243 0.0339 0.1141
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0439 0.067 1
Echinococcus granulosus aurora kinase A 0.0661 0.1043 0.1491
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0018 0.006
Brugia malayi protein unc-22 0.0046 0.0008 0.0029
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0239 0.0333 0.0331
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0049 0.0014 0.0018
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.4193 0.6987 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0024 0.008

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.738 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.693 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.687 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.59 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.554 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.982 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.878 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.871 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.73 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.663 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.648 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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