Detailed information for compound 1456256

Basic information

Technical information
  • TDR Targets ID: 1456256
  • Name: ethyl 5-[6-(2,5-dimethylphenyl)-1,3-dimethyl- 2,4-dioxo-7H-pyrrolo[5,4-d]pyrimidin-5-yl]-4- hydroxy-2-methylthiophene-3-carboxylate
  • MW: 467.537 | Formula: C24H25N3O5S
  • H donors: 2 H acceptors: 4 LogP: 4.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)sc(c1O)c1c([nH]c2c1c(=O)n(C)c(=O)n2C)c1cc(C)ccc1C
  • InChi: 1S/C24H25N3O5S/c1-7-32-23(30)15-13(4)33-20(19(15)28)16-17-21(26(5)24(31)27(6)22(17)29)25-18(16)14-10-11(2)8-9-12(14)3/h8-10,25,28H,7H2,1-6H3
  • InChiKey: WSROJSYJJJVFHA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-[6-(2,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[5,4-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-thiophene-3-carboxylate
  • 5-[6-(2,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxo-7H-pyrrolo[5,4-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid ethyl ester
  • 5-[6-(2,5-dimethylphenyl)-2,4-diketo-1,3-dimethyl-7H-pyrrolo[5,4-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid ethyl ester
  • D343-0571
  • NCGC00118908-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0253 0.0253
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0431 0.0431
Onchocerca volvulus 0.015 0.1643 0.2527
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0431 0.0431
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0013 0.0013
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0273 0.059
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0429 0.0927
Loa Loa (eye worm) RNA binding protein 0.0533 0.6961 0.7125
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.2228 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0752 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0336 0.0519
Plasmodium vivax SET domain protein, putative 0.0063 0.0431 0.5
Trichomonas vaginalis set domain proteins, putative 0.0497 0.6463 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0411 0.0636
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0431 0.0431
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2292 0.2292
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0167 0.0361
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0273 0.059
Schistosoma mansoni lamin 0.0033 0.0013 0.0013
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1957 0.4232
Brugia malayi Pre-SET motif family protein 0.0063 0.0431 0.0441
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0167 0.0258
Schistosoma mansoni hypothetical protein 0.005 0.0253 0.0253
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.087 0.1347
Schistosoma mansoni hypothetical protein 0.0108 0.1055 0.1055
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0094 0.087 0.1882
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0273 0.059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0268 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0267 0.0413
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Echinococcus granulosus intermediate filament protein 0.0033 0.0013 0.0013
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0013 0.0013
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.4624 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.087 0.1347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0602 0.0932
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2292 0.2292
Echinococcus multilocularis lamin 0.0033 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0063 0.0431 0.0441
Echinococcus granulosus lamin dm0 0.0033 0.0013 0.0013
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0167 0.0258
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0533 0.6961 0.7125
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0167 0.0258
Echinococcus granulosus lamin 0.0033 0.0013 0.0013
Schistosoma mansoni alpha-glucosidase 0.0169 0.1912 0.1912
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0167 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.087 0.1347
Schistosoma mansoni intermediate filament proteins 0.0033 0.0013 0.0013
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0167 0.0258
Giardia lamblia GTOR 0.0094 0.087 0.5
Brugia malayi intermediate filament protein 0.0033 0.0013 0.0013
Brugia malayi hypothetical protein 0.0735 0.9769 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0268 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0075 0.0603 0.1305
Brugia malayi hypothetical protein 0.0149 0.163 0.1668
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0094 0.087 0.1882
Loa Loa (eye worm) TAR-binding protein 0.0533 0.6961 0.7125
Echinococcus multilocularis survival motor neuron protein 1 0.0735 0.9769 0.9769
Mycobacterium ulcerans hypothetical protein 0.0192 0.2228 0.5
Schistosoma mansoni alpha glucosidase 0.0044 0.0167 0.0167
Schistosoma mansoni tar DNA-binding protein 0.0533 0.6961 0.6961
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2292 0.2347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0343 0.0531
Schistosoma mansoni alpha-glucosidase 0.0169 0.1912 0.1912
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0431 0.0431
Brugia malayi Fli-1 protein 0.0265 0.3247 0.3324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0268 0.0415
Schistosoma mansoni hypothetical protein 0.005 0.0253 0.0253
Toxoplasma gondii hypothetical protein 0.0059 0.0378 0.5725
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0273 0.059
Entamoeba histolytica hypothetical protein 0.0149 0.163 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0267 0.0413
Loa Loa (eye worm) hypothetical protein 0.0108 0.1055 0.108
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0775 0.0775
Brugia malayi Ets-domain containing protein 0.0087 0.0775 0.0793
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0167 0.0258
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0602 0.0932
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2292 0.2347
Brugia malayi Latrophilin receptor protein 2 0.005 0.0253 0.0259
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0167 0.0361
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0431 0.717
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0167 0.0171
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0094 0.087 0.1882
Schistosoma mansoni ets-related 0.0265 0.3247 0.3247
Echinococcus granulosus tar DNA binding protein 0.0533 0.6961 0.6961
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0167 0.0167
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0437 0.5625 0.5758
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.4624 1
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0775 0.0775
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0094 0.087 0.087
Echinococcus granulosus survival motor neuron protein 1 0.0735 0.9769 0.9769
Echinococcus multilocularis GPCR, family 2 0.005 0.0253 0.0253
Entamoeba histolytica hypothetical protein 0.0149 0.163 1
Schistosoma mansoni transcription factor LCR-F1 0.0149 0.163 0.163
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0253 0.0259
Schistosoma mansoni tar DNA-binding protein 0.0533 0.6961 0.6961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0602 0.0932
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2292 0.2292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0336 0.0519
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1957 0.4232
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0253 0.0253
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0094 0.087 0.0891
Schistosoma mansoni hypothetical protein 0.0149 0.163 0.163
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0149 0.163 0.163
Echinococcus multilocularis musashi 0.0033 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.005 0.0253 0.0253
Toxoplasma gondii target of rapamycin (TOR), putative 0.007 0.0535 1
Schistosoma mansoni gabp alpha 0.0087 0.0775 0.0775
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0253 0.0253
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0253 0.0259
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0094 0.087 0.1882
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0343 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1055 0.108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0679 0.105
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0039 0.0105 0.0227
Onchocerca volvulus 0.0063 0.0431 0.0648
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0167 0.0167
Schistosoma mansoni hypothetical protein 0.015 0.1643 0.1643
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0602 0.0932
Schistosoma mansoni tar DNA-binding protein 0.0533 0.6961 0.6961
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0167 0.0171
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0045 0.018 0.039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0343 0.0531
Loa Loa (eye worm) fli-1 protein 0.0265 0.3247 0.3324
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0253 0.0253
Schistosoma mansoni lamin 0.0033 0.0013 0.0013
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0075 0.0603 0.1305
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.1747 0.1788
Loa Loa (eye worm) phosphatidylinositol 3 0.0094 0.087 0.0891
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0775 0.0793
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0094 0.087 0.1882
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0094 0.087 0.4809
Loa Loa (eye worm) hypothetical protein 0.0157 0.1747 0.1788
Echinococcus multilocularis tar DNA binding protein 0.0533 0.6961 0.6961
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.1747 0.1788
Loa Loa (eye worm) hypothetical protein 0.0735 0.9769 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0075 0.0603 0.1305
Schistosoma mansoni tar DNA-binding protein 0.0533 0.6961 0.6961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0268 0.0415
Trypanosoma brucei glucosidase, putative 0.0044 0.0167 0.0361
Brugia malayi Pre-SET motif family protein 0.0437 0.5625 0.5758
Brugia malayi Ets-domain containing protein 0.0087 0.0775 0.0793
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0399 0.0399
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0431 0.0431
Echinococcus multilocularis lamin dm0 0.0033 0.0013 0.0013
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0094 0.087 0.1882
Brugia malayi TAR-binding protein 0.0533 0.6961 0.7125
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1957 0.4232
Onchocerca volvulus 0.0114 0.1141 0.1748
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0094 0.087 0.4809
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.4624 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.4624 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0167 0.0258
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.1747 0.1788
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0439 0.068
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0167 0.0258
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0149 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.0033 0.0013 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0533 0.6961 0.6961
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0535 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0267 0.0413
Schistosoma mansoni survival motor neuron protein 0.015 0.1643 0.1643
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0094 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.005 0.0253 0.0259
Loa Loa (eye worm) hypothetical protein 0.0032 0.0005 0.0005
Echinococcus granulosus GPCR family 2 0.005 0.0253 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0602 0.0932
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0094 0.087 0.087
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0167 0.0258
Brugia malayi RNA recognition motif domain containing protein 0.0533 0.6961 0.7125
Onchocerca volvulus 0.0497 0.6463 1
Brugia malayi RNA binding protein 0.0533 0.6961 0.7125
Entamoeba histolytica hypothetical protein 0.0149 0.163 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0599 0.0613
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.015 0.1643 0.1682
Schistosoma mansoni hypothetical protein 0.005 0.0253 0.0253
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0167 0.0258
Entamoeba histolytica hypothetical protein 0.0149 0.163 1
Schistosoma mansoni microtubule-associated protein tau 0.0752 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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