Detailed information for compound 1199409

Basic information

Technical information
  • TDR Targets ID: 1199409
  • Name: 3-bromo-5-methoxy-4-(phenylmethoxy)benzamide
  • MW: 336.181 | Formula: C15H14BrNO3
  • H donors: 1 H acceptors: 1 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OCc1ccccc1)Br)C(=O)N
  • InChi: 1S/C15H14BrNO3/c1-19-13-8-11(15(17)18)7-12(16)14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,17,18)
  • InChiKey: JWPHLSPDSGOABO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(benzyloxy)-3-bromo-5-methoxy-benzamide
  • ZINC00381715
  • 4-(benzyloxy)-3-bromo-5-methoxybenzamide
  • MLS000698485
  • SMR000229336
  • AN-989/42911585

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0102 0.3061 0.3937
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0228 0.7776 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0102 0.3061 0.3475
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2091 0.2007
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1561 0.1296
Brugia malayi PAS domain containing protein 0.0048 0.1017 0.0755
Loa Loa (eye worm) cytochrome P450 family protein 0.0259 0.8947 1
Leishmania major protein kinase, putative 0.0067 0.1724 0.2217
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0102 0.3061 0.3475
Echinococcus multilocularis dna polymerase kappa 0.004 0.0737 0.0258
Brugia malayi Cytochrome P450 family protein 0.0175 0.5767 0.6292
Echinococcus multilocularis 0.0102 0.3061 0.3475
Loa Loa (eye worm) cytochrome P450 0.0102 0.3061 0.3138
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.1334 0.1084
Schistosoma mansoni ap endonuclease 0.0061 0.1504 0.1217
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0213 0.72 0.7963
Echinococcus granulosus geminin 0.0205 0.6894 0.8779
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0636 0.0311
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1561 0.1399
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.4488 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0737 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0927 0.065
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2091 0.2038
Brugia malayi hypoxia-induced factor 1 0.0148 0.4775 0.5136
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.1334 0.136
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1724 0.1524
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0369 0.064
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0927 0.065
Loa Loa (eye worm) hypoxia-induced factor 1 0.0148 0.4775 0.5136
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0102 0.3061 0.3937
Echinococcus granulosus hypothetical protein 0.0066 0.1686 0.1572
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0067 0.1724 0.2121
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0257 0.8849 0.9885
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.1334 0.1124
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0102 0.3061 0.3937
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0061 0.1504 0.132
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0228 0.7776 1
Trypanosoma brucei unspecified product 0.0034 0.0494 0.0857
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0102 0.3061 0.3475
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0102 0.3061 0.5308
Brugia malayi MH2 domain containing protein 0.0123 0.382 0.4023
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0228 0.7776 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0927 0.0521
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0102 0.3061 0.3475
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0737 0.0198
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0061 0.1504 0.1935
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0102 0.3061 0.3937
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0927 0.0408
Schistosoma mansoni alpha-glucosidase 0.0146 0.4703 0.5696
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1561 0.1399
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0102 0.3061 0.3475
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0067 0.1724 0.4488
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.5589 0.6086
Giardia lamblia Kinase, CMGC CLK 0.0067 0.1724 0.1724
Loa Loa (eye worm) cytochrome P450 family protein 0.0175 0.5767 0.6292
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0737 0.1278
Brugia malayi cytochrome P450 0.0102 0.3061 0.3138
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0102 0.3061 0.3475
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0102 0.3061 0.3937
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1561 0.3816
Schistosoma mansoni hypothetical protein 0.0102 0.3061 0.3397
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0061 0.1504 0.1693
Schistosoma mansoni single-minded 0.0048 0.1017 0.0534
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.382 0.4023
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0102 0.3061 0.3937
Brugia malayi RNA binding protein 0.0076 0.2091 0.2007
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0061 0.1504 0.1504
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0102 0.3061 0.3475
Leishmania major cytochrome p450-like protein 0.0102 0.3061 0.3937
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Plasmodium vivax serine/threonine kinase-1, putative 0.0067 0.1724 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0067 0.1724 0.1624
Brugia malayi exodeoxyribonuclease III family protein 0.0061 0.1504 0.1323
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2091 0.2007
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0102 0.3061 0.3475
Schistosoma mansoni ap endonuclease 0.0061 0.1504 0.1217
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0102 0.3061 0.3937
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1561 0.1399
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2091 0.2038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1561 0.2008
Trypanosoma cruzi cytochrome P450, putative 0.0175 0.5767 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0102 0.3061 0.3937
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.4488 0.5771
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0927 0.0521
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.1334 0.0977
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0067 0.1724 0.2121
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.1334 0.2877
Brugia malayi hypothetical protein 0.0161 0.5241 0.5679
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0737 0.1278
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0102 0.3061 0.3475
Leishmania major cytochrome p450-like protein 0.0102 0.3061 0.3937
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0102 0.3061 0.3475
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0102 0.3061 0.3475
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0737 0.0198
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.5589 0.6974
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0102 0.3061 0.3937
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0102 0.3061 0.3937
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0636 0.0118
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0102 0.3061 0.3937
Treponema pallidum fructose-bisphosphate aldolase 0.0287 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0737 0.0198
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.5241 0.5679
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.5589 0.6974
Brugia malayi MAP kinase sur-1 0.0056 0.1334 0.1124
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0228 0.7776 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0061 0.1504 0.1323
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1334 0.0745
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1334 0.0745
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0061 0.1504 0.2609
Brugia malayi Cytochrome P450 family protein 0.0102 0.3061 0.3138
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0102 0.3061 0.3937
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0102 0.3061 0.3475
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0102 0.3061 0.3475
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0061 0.1504 0.1693
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.1724 0.1162
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.1334 0.1084
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0102 0.3061 0.3475
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1561 0.1296
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0061 0.1504 0.0928
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0102 0.3061 0.3937
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0927 0.0521
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0551 0.0212
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0228 0.7776 1
Trypanosoma cruzi cytochrome P450, putative 0.0175 0.5767 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0061 0.1504 0.5
Brugia malayi Cytochrome P450 family protein 0.0259 0.8947 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.1017 0.0534
Loa Loa (eye worm) hypothetical protein 0.0072 0.1928 0.1818
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.5589 0.6974
Brugia malayi Cytochrome P450 family protein 0.0175 0.5767 0.6292
Echinococcus granulosus dna polymerase kappa 0.004 0.0737 0.0258
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0102 0.3061 0.3475
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0102 0.3061 0.3937
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0102 0.3061 0.3475
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0102 0.3061 0.3937
Schistosoma mansoni cytochrome P450 0.0102 0.3061 0.3397
Echinococcus multilocularis dual specificity protein kinase clk2 0.0067 0.1724 0.1624
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0067 0.1724 0.2121
Loa Loa (eye worm) hypothetical protein 0.0066 0.1686 0.1535
Plasmodium falciparum protein serine/threonine kinase-1 0.0067 0.1724 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2091 0.2038
Loa Loa (eye worm) cytochrome P450 family protein 0.0175 0.5767 0.6292
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0102 0.3061 0.3937
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0102 0.3061 0.3937
Onchocerca volvulus 0.0098 0.2905 1
Toxoplasma gondii exonuclease III APE 0.0061 0.1504 0.3582
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.1334 0.1334
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0061 0.1504 0.132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1561 0.1399
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.1334 0.1084
Loa Loa (eye worm) CYP4Cod1 0.0175 0.5767 0.6292
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.1334 0.136
Echinococcus multilocularis geminin 0.0205 0.6894 0.8779
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0061 0.1504 0.132
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0737 0.0258
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0228 0.7776 1
Schistosoma mansoni hypothetical protein 0.0205 0.6894 0.8765
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0102 0.3061 0.3937
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0636 0.0118
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0061 0.1504 0.1935
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0102 0.3061 0.3475
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.1334 0.2313
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1334 0.0745
Brugia malayi follicle stimulating hormone receptor 0.0257 0.8849 0.9885
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1561 0.2008
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.4488 0.5449
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0927 0.0521
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.382 0.4023
Echinococcus granulosus cytochrome P450 2K1 0.0102 0.3061 0.3475
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0737 0.0258
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0102 0.3061 0.3475
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.1334 0.1715
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1724 0.1524
Loa Loa (eye worm) RNA binding protein 0.0076 0.2091 0.2007
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0067 0.1724 0.299
Schistosoma mansoni alpha-glucosidase 0.0146 0.4703 0.5696
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0102 0.3061 0.4727
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.1334 0.136
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Echinococcus granulosus tar DNA binding protein 0.0076 0.2091 0.2132
Brugia malayi Protein kinase domain containing protein 0.0067 0.1724 0.158
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0369 0.064
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0927 0.0408
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2091 0.2038
Brugia malayi TAR-binding protein 0.0076 0.2091 0.2007
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0175 0.5767 0.7219
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0636 0.0311
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0228 0.7776 0.8635
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0067 0.1724 0.2121
Leishmania major cytochrome p450-like protein 0.0175 0.5767 0.7416
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1561 0.1399
Trypanosoma brucei protein kinase, putative 0.0056 0.1334 0.2313
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.5589 0.6086
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0737 0.1278
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2091 0.2038
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0102 0.3061 0.4727
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0228 0.7776 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.1334 0.1715
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0494 0.0857
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0737 0.0198
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0636 0.0818
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0102 0.3061 0.3937
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2091 0.2007
Trichomonas vaginalis ap endonuclease, putative 0.0061 0.1504 0.0928
Echinococcus multilocularis 0.0066 0.1686 0.1572
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.1334 0.1084
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0067 0.1724 0.158
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0067 0.1724 0.299
Leishmania major protein kinase, putative 0.0067 0.1724 0.2217
Toxoplasma gondii cytochrome p450 superfamily protein 0.0102 0.3061 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0102 0.3061 0.3475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0927 0.0408
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0102 0.3061 0.3937
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0737 0.0108
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0102 0.3061 0.3475
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0102 0.3061 0.3937
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.1334 0.0745
Schistosoma mansoni hypothetical protein 0.0205 0.6894 0.8765
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0102 0.3061 0.4727
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.1334 0.136
Trypanosoma brucei glucosidase, putative 0.0038 0.0636 0.1102
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2091 0.2132
Trypanosoma brucei cytochrome P450, putative 0.0175 0.5767 1
Trichomonas vaginalis ap endonuclease, putative 0.0061 0.1504 0.0928

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5805 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23

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.

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