Detailed information for compound 14855

Basic information

Technical information
  • TDR Targets ID: 14855
  • Name: 5-ethyl-6-phenyl-9-prop-2-enoxybenzo[b][1]ben zoxepine
  • MW: 354.441 | Formula: C25H22O2
  • H donors: 0 H acceptors: 0 LogP: 6.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1ccc2c(c1)Oc1ccccc1C(=C2c1ccccc1)CC
  • InChi: 1S/C25H22O2/c1-3-16-26-19-14-15-22-24(17-19)27-23-13-9-8-12-21(23)20(4-2)25(22)18-10-6-5-7-11-18/h3,5-15,17H,1,4,16H2,2H3
  • InChiKey: FLHHKPBRUGMVKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-allyloxy-5-ethyl-6-phenyl-benzo[b][1]benzoxepine
  • 9-allyloxy-5-ethyl-6-phenylbenzo[b][1]benzoxepine
  • 5-ethyl-6-phenyl-9-prop-2-enoxy-benzo[b][1]benzoxepine
  • 83807-07-2
  • 3-(Allyloxy)-10-ethyl-11-phenyldibenz(b,f,)oxepine
  • BRN 5611180
  • DIBENZ(b,f)OXEPINE, 3-(ALLYLOXY)-10-ETHYL-11-PHENYL-

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
Leishmania major trypanothione reductase 0.0153 0.0952 0.1069
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0466 0.0541
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0466 0.0541
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0767 0.0925
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0767 0.1402
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0466 0.0849
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Mycobacterium ulcerans hypothetical protein 0.0073 0.0289 0.0361
Loa Loa (eye worm) glutaminase 2 0.0607 0.4717 0.8899
Onchocerca volvulus 0.0046 0.0068 0.0083
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.0891 0.1083
Plasmodium falciparum thioredoxin reductase 0.0153 0.0952 0.5812
Trichomonas vaginalis thymidine kinase, putative 0.0987 0.7873 1
Echinococcus granulosus expressed protein 0.0449 0.3404 0.3392
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.5512 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0489 0.0893
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0489 0.0858
Echinococcus granulosus histone lysine methyltransferase setb 0.0097 0.0489 0.0472
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0767 0.1419
Trichomonas vaginalis glutathione reductase, putative 0.0053 0.0123 0.0067
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0891 0.0991
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.0068 0.0249 0.0421
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0293 0.2114 0.2446
Toxoplasma gondii NADPH-glutathione reductase 0.0053 0.0123 0.0795
Brugia malayi ImpB/MucB/SamB family protein 0.0132 0.0775 0.1451
Mycobacterium ulcerans beta-lactamase 0.0073 0.0289 0.0361
Trichomonas vaginalis mercuric reductase, putative 0.0053 0.0123 0.0067
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0677 0.5298 1
Trypanosoma cruzi thymidine kinase, putative 0.0987 0.7873 1
Brugia malayi Thioredoxin reductase 0.0153 0.0952 0.1786
Plasmodium vivax SET domain protein, putative 0.0097 0.0489 0.2567
Plasmodium vivax glutathione reductase, putative 0.0153 0.0952 0.5812
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0135 0.0807 0.0882
Entamoeba histolytica thymidine kinase, putative 0.0987 0.7873 1
Echinococcus granulosus dna polymerase eta 0.0132 0.0775 0.0758
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Plasmodium falciparum glutathione reductase 0.0153 0.0952 0.5812
Brugia malayi beta-lactamase family protein 0.0073 0.0289 0.0534
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0097 0.0489 0.3158
Loa Loa (eye worm) hypothetical protein 0.0073 0.0289 0.0513
Echinococcus multilocularis thioredoxin glutathione reductase 0.0153 0.0952 0.17
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Mycobacterium tuberculosis Probable reductase 0.0349 0.2576 0.7159
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0123 0.0103
Echinococcus granulosus transcription factor Dp 1 0.0078 0.0334 0.0317
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0065 0.0219 0.028
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0767 0.0892
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.068 0.1205
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0289 0.0484
Schistosoma mansoni thymidine kinase 0.0304 0.2207 0.3985
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0289 0.0261
Entamoeba histolytica hypothetical protein 0.0078 0.0331 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0171 0.0165
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0171 0.0165
Echinococcus granulosus geminin 0.0169 0.1087 0.1072
Echinococcus multilocularis transcription factor Dp 1 0.0078 0.0334 0.0575
Loa Loa (eye worm) deoxynucleoside kinase 0.0068 0.0249 0.0438
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0135 0.0807 0.1436
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0489 0.0858
Echinococcus granulosus dna polymerase kappa 0.0128 0.0748 0.0732
Leishmania major thymidine kinase, putative 0.0987 0.7873 1
Onchocerca volvulus 0.0097 0.0489 0.0778
Toxoplasma gondii hypothetical protein 0.0102 0.0527 0.3403
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0225 0.1549 0.1705
Trichomonas vaginalis glutaminase, putative 0.0607 0.4717 0.5954
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0053 0.0123 0.0192
Trichomonas vaginalis set domain proteins, putative 0.077 0.6074 0.7693
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0207 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0289 0.0494
Echinococcus multilocularis dna polymerase kappa 0.0128 0.0748 0.133
Trypanosoma cruzi DNA polymerase eta, putative 0.0132 0.0775 0.0935
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0101 0.0521 0.0915
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0135 0.0807 0.1436
Brugia malayi Disco-interacting protein 2 homolog 0.0046 0.0068 0.0116
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0135 0.0807 0.1494
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.089 0.2502
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0053 0.0123 0.0103
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0078 0.0331 0.0108
Trypanosoma cruzi DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Trypanosoma brucei beta lactamase 0.0065 0.0219 0.0226
Brugia malayi beta-lactamase family protein 0.0073 0.0289 0.0534
Brugia malayi 6-phosphofructokinase 0.0131 0.0767 0.1437
Onchocerca volvulus 0.0073 0.0289 0.0448
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0388 0.2899 0.8101
Loa Loa (eye worm) beta-lactamase 0.0073 0.0289 0.0513
Leishmania major mitochondrial DNA polymerase beta 0.0308 0.2234 0.2724
Trypanosoma brucei DNA polymerase eta, putative 0.0132 0.0775 0.0935
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.2152 0.2618
Mycobacterium tuberculosis Probable oxidoreductase 0.0388 0.2899 0.8101
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0134 0.0799 0.1972
Echinococcus granulosus dUTP pyrophosphatase 0.0225 0.1549 0.1534
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0135 0.0807 0.0976
Loa Loa (eye worm) hypothetical protein 0.0073 0.0289 0.0513
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0767 0.0892
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Schistosoma mansoni terminal deoxycytidyl transferase 0.0101 0.0521 0.0915
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0767 0.1879
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0225 0.1549 1
Mycobacterium ulcerans glutaminase 0.0607 0.4717 1
Toxoplasma gondii thioredoxin reductase 0.0153 0.0952 0.6145
Trypanosoma brucei trypanothione reductase 0.0153 0.0952 0.1161
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0466 0.0443
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0108 0.0577 0.0586
Echinococcus granulosus thymidine kinase 0.0304 0.2207 0.2193
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Trypanosoma brucei DNA polymerase kappa, putative 0.0076 0.0317 0.0351
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0767 0.0925
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.089 0.2237
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0136 0.0223
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.089 0.1668
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.1027 0.2639
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0466 0.0816
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0123 0.0103
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0053 0.0123 0.0795
Onchocerca volvulus 0.0073 0.0289 0.0448
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0289 0.0279
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0289 0.0361
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0289 0.0534
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0097 0.0489 0.0858
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0767 0.1364
Echinococcus multilocularis disco interacting protein 2 0.0046 0.0068 0.0091
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0289 0.0279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0207 0.0182
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Echinococcus multilocularis expressed protein 0.0449 0.3404 0.6163
Echinococcus multilocularis dna polymerase eta 0.0132 0.0775 0.1378
Brugia malayi hypothetical protein 0.0151 0.0935 0.1756
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0304 0.2207 0.2193
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0134 0.0799 0.1471
Schistosoma mansoni hypothetical protein 0.0169 0.1087 0.1947
Leishmania major DNA polymerase eta, putative 0.0062 0.0197 0.0096
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0289 0.0315
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0225 0.1549 0.1894
Trypanosoma cruzi DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0097 0.0489 0.0858
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.2152 0.2496
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0767 0.1364
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0053 0.0123 0.0103
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0123 0.0103
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0225 0.1549 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0207 0.0244
Leishmania major DNA polymerase eta, putative 0.0132 0.0775 0.084
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.0767 0.2045
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0101 0.0521 0.0953
Onchocerca volvulus 0.077 0.6074 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0349 0.2576 0.7159
Loa Loa (eye worm) hypothetical protein 0.0132 0.0775 0.1433
Brugia malayi Deoxynucleoside kinase family protein 0.0068 0.0249 0.0458
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.2234 0.2799
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0228
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0108 0.0577 0.1325
Mycobacterium tuberculosis Conserved hypothetical protein 0.0101 0.0521 0.116
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0767 0.1364
Schistosoma mansoni lipoxygenase 0.0084 0.038 0.066
Giardia lamblia Thymidine kinase 0.0987 0.7873 1
Mycobacterium ulcerans DNA polymerase IV 0.0128 0.0748 0.1361
Entamoeba histolytica hypothetical protein 0.0225 0.1549 0.1705
Trypanosoma brucei DNA polymerase IV, putative 0.0128 0.0748 0.0902
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0078 0.0331 0.0607
Trypanosoma brucei DNA polymerase IV, putative 0.0122 0.0692 0.0829
Onchocerca volvulus 0.0151 0.0935 0.1516
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0207 0.0344
Loa Loa (eye worm) glutaminase 0.0607 0.4717 0.8899
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0289 0.1162
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0767 0.1419
Schistosoma mansoni hypothetical protein 0.0169 0.1087 0.1947
Loa Loa (eye worm) hypothetical protein 0.0073 0.0289 0.0513
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0101 0.0521 0.0504
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0293 0.2114 0.2446
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0289 0.0279
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0388 0.2899 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0121 0.01
Mycobacterium ulcerans lipoprotein LpqF 0.0065 0.0219 0.0209
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0891 0.1083
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0097 0.0489 0.0858
Giardia lamblia DINP protein human, muc B family 0.0108 0.0577 0.0586
Echinococcus multilocularis thymidine kinase 0.0304 0.2207 0.3985
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0767 0.0751
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0207 0.0182
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0053 0.0123 0.0192
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0466 0.0449
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0053 0.0123 0.0103
Schistosoma mansoni glutaminase 0.0607 0.4717 0.8553
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0053 0.0123 0.0103
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0767 0.0892
Trypanosoma brucei unspecified product 0.007 0.0261 0.0279
Trypanosoma brucei DNA polymerase kappa, putative 0.0076 0.0317 0.0351
Brugia malayi Pre-SET motif family protein 0.0097 0.0489 0.0912
Brugia malayi ImpB/MucB/SamB family protein 0.0101 0.0521 0.0972
Schistosoma mansoni DNA polymerase eta 0.0132 0.0775 0.1378
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0207 0.0344
Mycobacterium ulcerans hypothetical protein 0.0162 0.1027 0.1968
Mycobacterium ulcerans DNA polymerase IV 0.0128 0.0748 0.1361
Entamoeba histolytica deoxycytidyl transferase, putative 0.0101 0.0521 0.0356
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0466 0.0285
Toxoplasma gondii ABC1 family protein 0.0073 0.0289 0.1865
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0289 0.0272
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.2234 0.2799
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0228
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0123 0.0103
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.2152 1
Giardia lamblia Hypothetical protein 0.0068 0.0249 0.0162
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0053 0.0123 0.022
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0767 0.068
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0094 0.0459 0.0442
Trichomonas vaginalis thymidine kinase, putative 0.0987 0.7873 1
Onchocerca volvulus 0.0073 0.0289 0.0448
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0078 0.0331 0.0419
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0135 0.0807 0.1512
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0289 0.0484
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0228
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0207 0.0108
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0078 0.0331 0.0453
Trichomonas vaginalis esterase, putative 0.0073 0.0289 0.0279
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.068 0.0663
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0293 0.2114 0.2446
Trypanosoma brucei unspecified product 0.007 0.0261 0.0279
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0349 0.2576 0.7159
Trypanosoma brucei DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Echinococcus multilocularis dUTP pyrophosphatase 0.0225 0.1549 0.2787
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0767 0.068
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.0068 0.0249 0.0232
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0135 0.0807 0.0731
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0135 0.0807 0.0976
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0466 0.0816
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0046 0.0068 0.0091
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0053 0.0123 0.0103
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.2152 0.2496
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.5512 1
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0078 0.0331 0.0108
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0289 0.0484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0123 0.0103
Chlamydia trachomatis deoxycytidine triphosphate deaminase 0.0078 0.0331 0.146
Giardia lamblia Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative 0.0068 0.0249 0.0162
Giardia lamblia Hypothetical protein 0.0068 0.0249 0.0162
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0289 0.0484
Mycobacterium ulcerans lipase LipD 0.0073 0.0289 0.0361
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0197 0.0198
Echinococcus multilocularis transfer RNA-Ile 0.0304 0.2207 0.3985
Brugia malayi dUTP diphosphatase 0.0225 0.1549 0.2915
Brugia malayi CXXC zinc finger family protein 0.004 0.0018 0.0021
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0349 0.2576 0.7159
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0225 0.1549 0.2787
Echinococcus granulosus thioredoxin glutathione reductase 0.0153 0.0952 0.0936
Loa Loa (eye worm) hypothetical protein 0.0046 0.0068 0.0095
Entamoeba histolytica hypothetical protein 0.0215 0.1466 0.1597
Mycobacterium tuberculosis Conserved protein 0.0073 0.0289 0.0484
Loa Loa (eye worm) dUTP diphosphatase 0.0225 0.1549 0.2899
Schistosoma mansoni kinase 0.0048 0.0081 0.0116
Leishmania major hypothetical protein, conserved 0.0073 0.0289 0.0214
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0101 0.0521 0.0915
Schistosoma mansoni lipoxygenase 0.012 0.068 0.1205
Brugia malayi glutaminase DH11.1 0.0607 0.4717 0.8902
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0225 0.1549 0.1705
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0767 0.0831
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0053 0.0123 0.0103
Loa Loa (eye worm) hypothetical protein 0.0151 0.0935 0.1738
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0225 0.1549 1
Brugia malayi glutathione reductase 0.0153 0.0952 0.1786
Trichomonas vaginalis thymidine kinase, putative 0.0987 0.7873 1
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0078 0.0331 0.146
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0062 0.0197 0.1274
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0349 0.2576 0.8796
Trypanosoma brucei polo-like protein kinase 0.0094 0.0466 0.0541
Brugia malayi Pre-SET motif family protein 0.0677 0.5298 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0349 0.2576 0.7159
Echinococcus multilocularis geminin 0.0169 0.1087 0.1947
Brugia malayi polk-prov protein 0.0059 0.0171 0.0311
Trypanosoma cruzi DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Brugia malayi beta-lactamase 0.0073 0.0289 0.0534
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0289 0.0513
Giardia lamblia Deoxynucleoside kinase 0.0068 0.0249 0.0162
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0289 0.0279
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Echinococcus granulosus disco interacting protein 2 0.0046 0.0068 0.005
Trichomonas vaginalis DNA polymerase eta, putative 0.0128 0.0748 0.0868
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0078 0.0331 0.0453
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0097 0.0489 0.0858
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0135 0.0807 0.0976
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0068 0.0249 0.0421
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0308 0.2234 0.2799
Trypanosoma cruzi trypanothione reductase, putative 0.0153 0.0952 0.1161
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0767 0.068
Echinococcus multilocularis thymidine kinase 0.0304 0.2207 0.3985
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0289 0.0279
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0053 0.0123 0.0106
Trypanosoma brucei DNA polymerase IV, putative 0.0128 0.0748 0.0902
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0289 0.0315
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0289 0.0484
Loa Loa (eye worm) hypothetical protein 0.0073 0.0289 0.0513
Mycobacterium tuberculosis Conserved protein 0.0073 0.0289 0.0484
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0289 0.0484
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0289 0.0361
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0466 0.0506
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0123 0.0103
Brugia malayi 6-phosphofructokinase 0.0131 0.0767 0.1437
Trypanosoma brucei thymidine kinase 0.0987 0.7873 1
Echinococcus granulosus microtubule associated protein 2 0.0703 0.5512 0.5504
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0228
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0466 0.0741
Loa Loa (eye worm) hypothetical protein 0.0073 0.0289 0.0513
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Mycobacterium tuberculosis Conserved protein 0.0073 0.0289 0.0484
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0135 0.0807 0.079
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0767 0.0892
Loa Loa (eye worm) thioredoxin reductase 0.0153 0.0952 0.1769
Trypanosoma brucei unspecified product 0.0122 0.0692 0.0829
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0293 0.2114 0.2446
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0289 0.0484
Loa Loa (eye worm) glutathione reductase 0.0153 0.0952 0.1769
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0289 0.0315
Leishmania major DNA polymerase kappa, putative 0.0108 0.0577 0.0586
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0289 0.0494
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0153 0.0952 0.2418
Entamoeba histolytica hypothetical protein 0.0225 0.1549 0.1705
Entamoeba histolytica hypothetical protein 0.0215 0.1466 0.1597
Loa Loa (eye worm) hypothetical protein 0.0073 0.0289 0.0513
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0767 0.3174
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0388 0.2899 0.8101
Giardia lamblia Kinase, PLK 0.0094 0.0466 0.0443
Brugia malayi phosphofructokinase 0.0131 0.0767 0.1437
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0228
Trypanosoma brucei DNA polymerase kappa, putative 0.0076 0.0317 0.0351
Echinococcus granulosus thymidine kinase 0.0304 0.2207 0.2193
Mycobacterium leprae Probable lipase LipE 0.0073 0.0289 0.0261
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2152 0.2667
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0466 0.0869
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0128 0.0748 0.0868
Plasmodium vivax thioredoxin reductase, putative 0.0153 0.0952 0.5812
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0289 0.0494
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0349 0.2576 0.7159
Trypanosoma cruzi DNA polymerase kappa, putative 0.0128 0.0748 0.0902
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0225 0.1549 0.7026
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0123 0.0103
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0466 0.3549 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0207 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0108 0.0577 0.0683
Toxoplasma gondii hypothetical protein 0.005 0.0095 0.0614
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0225 0.1549 1
Trypanosoma cruzi thymidine kinase, putative 0.0987 0.7873 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0171 0.0291
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0102 0.0527 0.2834
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0767 0.1419
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0225 0.1549 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = % Uterotrophic and anti-uterotropic activities in immature rats at 25 mg/kg dose as %agonist:%antagonist = 53:34 ChEMBL. 6876081
Activity (functional) % Sedative activity measured after intraperitonealadministration to female mice and checked for their horizontal movement (dose mg/Kg); ND means not determined ChEMBL. 6876081
Activity (functional) = 0 % Uterotrophic and anti-uterotropic activities in immature rats at 25 mg/kg dose as %agonist:%antagonist = 53:34 ChEMBL. 6876081
Dose (functional) 0 mg kg-1 Dose prevented implantation in two out of 3 rats; ND means not determined ChEMBL. 6876081
MFED (functional) > 25 mg kg-1 Minimum fully effective dose that prevented implantation of eggs in three out of three rats (MFED) (antifertility) ChEMBL. 6876081
ND (functional) 0 % Sedative activity measured after intraperitonealadministration to female mice and checked for their horizontal movement (dose mg/Kg); ND means not determined ChEMBL. 6876081
RBA (binding) = 0.1 Relative binding affinity determined by displacement of [3H]-estradiol relative to unlabeled estradiol ChEMBL. 6876081
RBA (binding) = 0.1 Relative binding affinity determined by displacement of [3H]-estradiol relative to unlabeled estradiol ChEMBL. 6876081

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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