Detailed information for compound 647109

Basic information

Technical information
  • TDR Targets ID: 647109
  • Name: ethyl 2-[(4-methoxybenzoyl)amino]-5-phenylthi ophene-3-carboxylate
  • MW: 381.445 | Formula: C21H19NO4S
  • H donors: 1 H acceptors: 2 LogP: 5.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc(sc1NC(=O)c1ccc(cc1)OC)c1ccccc1
  • InChi: 1S/C21H19NO4S/c1-3-26-21(24)17-13-18(14-7-5-4-6-8-14)27-20(17)22-19(23)15-9-11-16(25-2)12-10-15/h4-13H,3H2,1-2H3,(H,22,23)
  • InChiKey: WJXCQZORJATLNT-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • ethyl 2-[(4-methoxybenzoyl)amino]-5-phenyl-thiophene-3-carboxylate
  • 2-[[(4-methoxyphenyl)-oxomethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
  • 2-[(4-methoxybenzoyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-[(4-methoxyphenyl)carbonylamino]-5-phenyl-thiophene-3-carboxylate
  • Oprea1_569119
  • AE-848/14138629
  • Oprea1_582221
  • ZINC04037171
  • MLS000573010
  • SMR000194711
  • ethyl 2-[(4-methoxybenzoyl)amino]-5-phenyl-3-thiophenecarboxylate
  • STOCK2S-62200

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
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 Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cam kinase protein 1 0.0031 0.0412 0.0722
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0049 0.0075
Leishmania major glucose transporter, lmgt1 0.0031 0.0413 0.1685
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0413 0.0413
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0337 0.0515
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0337 0.0337
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0413 0.0413
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5705 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0337 0.2371
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.2073 0.5555
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Loa Loa (eye worm) hypothetical protein 0.0047 0.0792 0.1389
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0307
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1422 0.381
Trypanosoma brucei unspecified product 0.0016 0.0044 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0044 0.0181
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1422 1
Leishmania major protein kinase, putative 0.0031 0.0412 0.1683
Echinococcus multilocularis dna polymerase eta 0.0023 0.0218 0.0497
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0164 0.3601 0.5501
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0049 0.0075
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0049 0.0075
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Plasmodium vivax CDK-related protein kinase 6, putative 0.043 1 1
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.0388 0.1585
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.2449 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0337 0.1377
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0201 0.1414
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.4391 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0218 0.0892
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0821
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0412 0.1683
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0116 0.2449 1
Loa Loa (eye worm) hypothetical protein 0.01 0.2073 0.3634
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0218 0.0497
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.0388 0.0884
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0218 0.0334
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0218 0.1536
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0201 0.3046
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.4391 0.7698
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0525 0.0802
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0708 0.2747
Trypanosoma brucei unspecified product 0.0023 0.0218 0.0892
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0413 0.0413
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0413 0.0631
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0413 0.0413
Onchocerca volvulus 0.01 0.2073 0.317
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Plasmodium vivax hexose transporter 0.0101 0.2092 0.2092
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0413 0.0631
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0218 0.0383
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0509 0.2079
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0708 0.1082
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Loa Loa (eye worm) hypothetical protein 0.0025 0.0251 0.044
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0879 0.1343
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0708 0.2747
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0134 0.0205
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0337 1
Trypanosoma brucei glucose transporter 2A 0.0031 0.0413 0.1685
Trypanosoma cruzi hexose transporter 0.0031 0.0413 0.1685
Brugia malayi Heterochromatin protein 1 0.0084 0.1682 0.2948
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0525 0.1196
Brugia malayi chromobox protein homolog 3 0.0047 0.0792 0.1389
Loa Loa (eye worm) hypothetical protein 0.003 0.0388 0.068
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0218 0.0585
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0879 0.1343
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.1063 0.1625
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0708 0.1083
Onchocerca volvulus 0.005 0.0856 0.1309
Schistosoma mansoni protein kinase 0.0031 0.0412 0.1104
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0357 0.0813
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0116 0.2449 0.5576
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0201 0.0539
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0821
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0413 0.1685
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1422 1
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0413 0.1685
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0509 0.2079
Giardia lamblia Kinase, PLK 0.0116 0.2449 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0413 0.063
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0218 0.1536
Entamoeba histolytica protein kinase, putative 0.0031 0.0412 0.1513
Schistosoma mansoni kinase 0.006 0.1099 0.2945
Plasmodium falciparum protein kinase 7 0.0286 0.6545 0.6545
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0049 0.0075
Leishmania major glucose transporter, lmgt2 0.0031 0.0413 0.1685
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0218 0.0706
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1422 0.381
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0412 0.0722
Plasmodium vivax SET domain protein, putative 0.0036 0.0525 0.0525
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.0388 0.0593
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0525 0.1407
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0044 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.2449 0.6561
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.0388 0.068
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0412 0.063
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0337 0.2371
Trypanosoma cruzi hexose transporter, putative 0.0017 0.007 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0792 0.1212
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0119 0.0838
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Trichomonas vaginalis set domain proteins, putative 0.0286 0.654 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.1682 0.383
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0201 0.0353
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0413 0.0413
Brugia malayi serine/threonine-protein kinase plk-2 0.0116 0.2449 0.4293
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0413 0.0631
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0413 0.1685
Brugia malayi SET domain containing protein 0.0015 0.0021 0.0037
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.4391 0.7698
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0413 0.0413
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0525 0.1407
Loa Loa (eye worm) hypothetical protein 0.0037 0.0547 0.0959
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0116 0.2449 0.5576
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.2073 0.3634
Plasmodium falciparum proline--tRNA ligase 0.0035 0.0509 0.0509
Loa Loa (eye worm) sugar transporter 0.0101 0.2092 0.3668
Leishmania major DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Loa Loa (eye worm) hypothetical protein 0.003 0.0388 0.068
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0413 0.1685
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0413 0.0631
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0856 0.2294
Trypanosoma brucei polo-like protein kinase 0.0116 0.2449 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Echinococcus granulosus dna polymerase eta 0.0023 0.0218 0.0497
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0035 0.0509 0.0778
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0413 0.0631
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1422 0.2172
Onchocerca volvulus 0.0286 0.654 1
Schistosoma mansoni hypothetical protein 0.0101 0.2092 0.5606
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0101 0.2092 0.4765
Brugia malayi Cytochrome P450 family protein 0.0059 0.1075 0.1884
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0388 0.104
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0218 0.0892
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0201 0.0539
Entamoeba histolytica hypothetical protein 0.0023 0.0201 0.0634
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1422 0.3238
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0337 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0218 0.0383
Loa Loa (eye worm) hypothetical protein 0.0023 0.0218 0.0383
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.092
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Brugia malayi Sugar transporter family protein 0.0101 0.2092 0.3668
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.2073 0.4721
Trypanosoma brucei glucose transporter 1E 0.0031 0.0413 0.1685
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0218 0.0497
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.0388 0.1413
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0049 0.0086
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0218 0.0892
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0218 0.0892
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0708 0.2892
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0044 0.0181
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Schistosoma mansoni protein kinase 0.0031 0.0412 0.1104
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.0388 1
Plasmodium vivax proline--tRNA ligase, putative 0.0035 0.0509 0.0509
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0412 0.0722
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0337 0.1377
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1422 0.3238
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0413 0.0631
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0708 0.2892
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0412 0.0938
Echinococcus multilocularis chromobox protein 1 0.0084 0.1682 0.383
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.2073 0.4721
Onchocerca volvulus 0.0037 0.0547 0.0837
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0413 0.0413
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0413 0.0413
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0218 0.0892
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0218 0.0892
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0337 0.8103
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0201 0.0821
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0525 0.1196
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0049 0.0075
Brugia malayi Pre-SET motif family protein 0.0036 0.0525 0.092
Leishmania major DNA polymerase eta, putative 0.0023 0.0218 0.0892
Echinococcus granulosus dna polymerase kappa 0.0023 0.0218 0.0497
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0357 0.0813
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0708 0.1083
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0049 0.02
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Echinococcus granulosus chromobox protein 1 0.0084 0.1682 0.383
Loa Loa (eye worm) hypothetical protein 0.0031 0.0412 0.0722
Schistosoma mansoni glucose transport protein 0.0101 0.2092 0.5606
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0201 0.0458
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1422 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.1075 0.1884
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0164 0.3601 0.3601
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0413 0.1685
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0049 0.0075
Trypanosoma brucei unspecified product 0.0016 0.0044 0.0181
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0708 0.1083
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0337 0.0515
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0413 0.1685
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0413 0.063
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0792 0.1212
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0413 0.0413
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0201 0.0458
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0708 0.1083
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0708 0.1612
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0461 0.0705
Loa Loa (eye worm) hypothetical protein 0.0016 0.0049 0.0086
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0509 0.2079
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0049 0.0075
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0708 0.1083
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0337 0.0337
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0201 0.0201
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0525 0.1196
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.0509 0.2079
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.0388 0.0884
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0412 0.0938
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1422 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0218 0.0334
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0708 0.2892
Leishmania major glucose transporter/membrane transporter D2, putative 0.0031 0.0413 0.1685
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0337 0.2371
Loa Loa (eye worm) hypothetical protein 0.0023 0.0201 0.0353
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1682 0.2948
Schistosoma mansoni alpha-glucosidase 0.0169 0.3732 1
Schistosoma mansoni chromobox protein 0.0084 0.1682 0.4507
Schistosoma mansoni alpha glucosidase 0.0044 0.0708 0.1897
Echinococcus multilocularis General substrate transporter 0.0087 0.175 0.3985
Leishmania major glucose transporter, lmgt3 0.0031 0.0413 0.1685
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0201 0.1414
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0461 0.0705
Plasmodium falciparum mitogen-activated protein kinase 2 0.0164 0.3601 0.3601
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.0509 0.2079
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0412 0.1104
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0337 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1682 0.2572
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Entamoeba histolytica hypothetical protein 0.0028 0.0337 0.1201
Giardia lamblia DINP protein human, muc B family 0.0023 0.0218 0.0892
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0493 0.1123
Onchocerca volvulus Serine\/threonine kinase homolog 0.0116 0.2449 0.3744
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0821
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0708 0.1083
Schistosoma mansoni alpha-glucosidase 0.0169 0.3732 1
Echinococcus granulosus chromobox protein 1 0.0084 0.1682 0.383
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0388 0.104
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0412 0.0722
Schistosoma mansoni glucose transport protein 0.0101 0.2092 0.5606
Plasmodium falciparum hexose transporter 0.0101 0.2092 0.2092
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4391 1
Toxoplasma gondii protein kinase, putative 0.0286 0.6545 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2092 0.4765
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0218 0.0383
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0049 0.0075
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0413 0.063
Onchocerca volvulus 0.0114 0.2396 0.3663
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0218 0.0497
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0049 0.02
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.2092 0.3199
Schistosoma mansoni chromobox protein 0.0084 0.1682 0.4507
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4391 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0116 0.2449 1
Echinococcus granulosus General substrate transporter 0.0087 0.175 0.3985
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0708 0.1241
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1422 0.5807
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0708 0.1083
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0049 0.02
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0792 0.1212
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0708 0.1083
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0708 0.1612
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1682 0.2572
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0879 0.1343
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.1063 0.1625
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0218 0.0585
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0116 0.2449 0.4293
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.0388 0.068
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Entamoeba histolytica protein kinase, putative 0.0031 0.0412 0.1513
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0525 0.1407
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0708 0.1083
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0218 0.1536
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0201 0.0201
Trypanosoma brucei glucose transporter, putative 0.0031 0.0413 0.1685
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0049 0.02
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0201 0.0307
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.2449 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0119 0.0838
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.2449 0.3744
Schistosoma mansoni glucose transport protein 0.0101 0.2092 0.5606
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0413 0.0631
Trypanosoma brucei glucosidase, putative 0.0044 0.0708 0.2892
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0049 0.0075
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0708 0.1241
Brugia malayi Pre-SET motif family protein 0.0251 0.5705 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0101 0.2092 0.3197
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0218 0.0892
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0218 0.1536
Schistosoma mansoni protein kinase 0.0031 0.0412 0.1104
Schistosoma mansoni DNA polymerase eta 0.0023 0.0218 0.0585

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 8.912509381 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 11.22018454 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 3.9811 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) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.3233 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 8.3481 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) [Related pubchem assays: 1490 (qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)), 1819 (Probe Development Summary of Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase))] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 23.5283 uM PUBCHEM_BIOASSAY: Inhibitos of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase): Dry Powder Follow up. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1490, AID1819, AID2701, AID2707] ChEMBL. No reference
Potency (functional) 29.9349 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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