Detailed information for compound 150793

Basic information

Technical information
  • TDR Targets ID: 150793
  • Name: methyl 1-(2-nitrophenyl)sulfonylbenzimidazole -2-carboxylate
  • MW: 361.329 | Formula: C15H11N3O6S
  • H donors: 0 H acceptors: 6 LogP: 2.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1nc2c(n1S(=O)(=O)c1ccccc1[N+](=O)[O-])cccc2
  • InChi: 1S/C15H11N3O6S/c1-24-15(19)14-16-10-6-2-3-7-11(10)17(14)25(22,23)13-9-5-4-8-12(13)18(20)21/h2-9H,1H3
  • InChiKey: QOJHCNHNOMULJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-nitrophenyl)sulfonyl-2-benzimidazolecarboxylic acid methyl ester
  • 1-(2-nitrophenyl)sulfonylbenzimidazole-2-carboxylic acid methyl ester
  • 1H-Benzimidazole-2-carboxylic acid, 1-[(2-nitrophenyl)sulfonyl]-, methyl ester
  • AIDS-154057
  • AIDS154057

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0042 0.0049
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0042 0.0049
Schistosoma mansoni bile acid beta-glucosidase-related 0.062 0.1604 0.1797
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0082 0.0367
Loa Loa (eye worm) hypothetical protein 0.0095 0.0166 0.0166
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0193 0.3105
Schistosoma mansoni alpha-glucosidase 0.3296 0.893 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0825 0.2163 0.2163
Schistosoma mansoni hypothetical protein 0.0277 0.0666 0.0745
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0268 0.0641 0.0718
Echinococcus granulosus expressed protein 0.0363 0.0899 0.0899
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0082 0.0091
Leishmania major sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0825 0.2163 1
Mycobacterium ulcerans alpha-L-fucosidase 0.1614 0.4324 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.0267 0.0267
Entamoeba histolytica glycogen debranching enzyme, putative 0.0384 0.0958 0.4421
Trichomonas vaginalis glycoside hydrolase, putative 0.0511 0.1305 0.1392
Brugia malayi Phospholipase A2 family protein 0.0178 0.0393 0.0393
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0178 0.0393 0.0393
Onchocerca volvulus 0.0232 0.0541 0.0758
Brugia malayi Trehalase protein 5 0.0046 0.0031 0.0031
Trichomonas vaginalis beta-glucosidase, putative 0.0387 0.0965 0.1017
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0466 0.1183 0.1727
Onchocerca volvulus Phospholipase A2 homolog 0.0178 0.0393 0.0534
Plasmodium vivax hypothetical protein, conserved 0.0196 0.0443 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0225 0.3722
Loa Loa (eye worm) hypothetical protein 0.0132 0.0267 0.0267
Trichomonas vaginalis alpha-glucosidase, putative 0.0825 0.2163 0.2339
Loa Loa (eye worm) hypothetical protein 0.0233 0.0545 0.0545
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0147 0.0309 0.1302
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.016 0.016
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0002 0.0002
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0014 0.0014
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0233 0.0545 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.3363 0.9112 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0632 0.1635 0.1757
Echinococcus granulosus bile acid beta glucosidase 0.062 0.1604 0.1604
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0095 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0049 0.0039 0.0039
Giardia lamblia Ceramide glucosyltransferase 0.0772 0.2019 1
Onchocerca volvulus Phospholipase A2 homolog 0.0511 0.1305 0.1912
Brugia malayi Trehalase family protein 0.0132 0.0267 0.0267
Onchocerca volvulus 0.2466 0.6658 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.062 0.1604 0.1604
Trichomonas vaginalis alpha-glucosidase, putative 0.0403 0.101 0.1067
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0042 0.0042
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0032 0.0032
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0042 0.0049
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.016 0.016
Loa Loa (eye worm) trehalase 0.0046 0.0031 0.0031
Brugia malayi Glycosyl hydrolases family 31 protein 0.0403 0.101 0.101
Brugia malayi Trehalase family protein 0.0046 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0511 0.1305 0.1305
Brugia malayi Ceramide glucosyltransferase 0.1703 0.4567 0.4567
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.1614 0.4324 0.4324
Loa Loa (eye worm) hypothetical protein 0.0826 0.2169 0.2169
Brugia malayi jmjC domain containing protein 0.0093 0.016 0.016
Brugia malayi Pre-SET motif family protein 0.0204 0.0464 0.0464
Schistosoma mansoni alpha-l-fucosidase 0.144 0.3848 0.4309
Echinococcus multilocularis lysosomal alpha glucosidase 0.3687 1 1
Loa Loa (eye worm) TRE-1 protein 0.0132 0.0267 0.0267
Brugia malayi Melibiase family protein 0.0233 0.0545 0.0545
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0108 0.0121
Brugia malayi Trehalase family protein 0.0046 0.0031 0.0031
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0008 0.0008
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0268 0.0641 0.0718
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.3363 0.9112 0.9112
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0233 0.0545 0.061
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0825 0.2163 1
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0147 0.0309 0.1302
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.3687 1 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Trichomonas vaginalis maltase-glucoamylase, putative 0.0825 0.2163 0.2339
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0042 0.0042
Trichomonas vaginalis alpha-glucosidase, putative 0.0403 0.101 0.1067
Loa Loa (eye worm) hypothetical protein 0.0419 0.1052 0.1052
Echinococcus granulosus vesicular acetylcholine transporter 0.0466 0.1183 0.1183
Echinococcus granulosus beta galactosidase 0.0642 0.1665 0.1665
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0794 0.208 0.9615
Loa Loa (eye worm) ceramide glucosyltransferase 0.1703 0.4567 0.4567
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Onchocerca volvulus 0.0132 0.0267 0.0343
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.0464 0.0464
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0403 0.101 0.459
Trichomonas vaginalis conserved hypothetical protein 0.032 0.0782 0.0816
Onchocerca volvulus Trehalase homolog 0.0132 0.0267 0.0343
Entamoeba histolytica beta-galactosidase, putative 0.0216 0.0498 0.2293
Schistosoma mansoni beta-mannosidase 0.0104 0.019 0.0213
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.1703 0.4567 0.6842
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0042 0.0049
Loa Loa (eye worm) hypothetical protein 0.0046 0.0031 0.0031
Trichomonas vaginalis sucrase-isomaltase, putative 0.0794 0.208 0.2247
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0196 0.0443 1
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.0321 0.0785 0.0785
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0082 0.0082
Echinococcus multilocularis expressed protein 0.0363 0.0899 0.0899
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.0561 0.0561
Leishmania major sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0268 0.0641 0.0718
Brugia malayi hypothetical protein 0.0239 0.0561 0.0561
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0825 0.2163 0.2339
Echinococcus multilocularis lysosomal alpha glucosidase 0.3687 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Trypanosoma brucei glycosyl hydrolase-like protein 0.0403 0.101 0.459
Loa Loa (eye worm) hypothetical protein 0.0086 0.0142 0.0142
Loa Loa (eye worm) glutathione reductase 0.0046 0.0032 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.0825 0.2163 1
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0112 0.0214 0.0214
Echinococcus granulosus lysosomal alpha glucosidase 0.3687 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0403 0.101 0.4663
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0825 0.2163 0.2163
Onchocerca volvulus 0.0132 0.0267 0.0343
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0193 0.3105
Brugia malayi Alpha-L-fucosidase family protein 0.144 0.3848 0.3848
Brugia malayi Thioredoxin reductase 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0132 0.0267 0.0267
Trichomonas vaginalis alpha-glucosidase, putative 0.0825 0.2163 0.2339
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0101 0.0184 0.0713
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0082 0.0082
Schistosoma mansoni vesicular acetylcholine transporter 0.0466 0.1183 0.1324
Loa Loa (eye worm) hypothetical protein 0.0046 0.0031 0.0031
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0082 0.0234
Echinococcus multilocularis neutral alpha glucosidase AB 0.0825 0.2163 0.2163
Trypanosoma cruzi lanosterol synthase, putative 0.0381 0.0948 0.4299
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0384 0.0958 0.4631
Trypanosoma cruzi hypothetical protein, conserved 0.0825 0.2163 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0032 0.0032
Trypanosoma cruzi phospholipase A1, putative 0.0321 0.0785 0.3535
Toxoplasma gondii melibiase subfamily protein 0.0268 0.0641 0.2857
Brugia malayi trehalase 0.0046 0.0031 0.0031
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0225 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0825 0.2163 0.2339
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0082 0.0082
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0082 0.0082
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0403 0.101 0.1067
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Brugia malayi trehalase I 0.0046 0.0031 0.0031
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0002 0.0002
Loa Loa (eye worm) trehalase 0.0132 0.0267 0.0267
Echinococcus granulosus fucosidase alpha L 1 tissue 0.1614 0.4324 0.4324
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0032 0.0032
Loa Loa (eye worm) beta-glucuronidase 0.0104 0.019 0.019
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.3363 0.9112 0.9112
Trichomonas vaginalis conserved hypothetical protein 0.0197 0.0446 0.0445
Leishmania major alpha glucosidase II subunit, putative 0.0825 0.2163 1
Trichomonas vaginalis beta-mannosidase, putative 0.0104 0.019 0.0163
Loa Loa (eye worm) hypothetical protein 0.0132 0.0267 0.0267
Brugia malayi Trehalase family protein 0.0132 0.0267 0.0267
Trypanosoma brucei phospholipase A1, putative 0.0321 0.0785 0.3535
Brugia malayi hypothetical protein 0.0046 0.0031 0.0031
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0384 0.0958 0.0958
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Leishmania major glycosyl hydrolase-like protein 0.0403 0.101 0.459
Brugia malayi Trehalase family protein 0.0132 0.0267 0.0267
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0042 0.0049
Brugia malayi hypothetical protein 0.0035 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0046 0.0031 0.0031
Trypanosoma brucei Sterol methyltransferase, putative 0.0195 0.0439 0.1908
Loa Loa (eye worm) TRE-2 protein 0.0132 0.0267 0.0267
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0042 0.0049
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0042 0.0047
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0112 0.0214 0.0214
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0268 0.0641 0.0641
Brugia malayi hypothetical protein 0.0046 0.0031 0.0031
Onchocerca volvulus 0.0132 0.0267 0.0343
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0403 0.101 0.1466
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0193 0.3105
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0002 0.0003
Echinococcus granulosus neutral alpha glucosidase AB 0.0825 0.2163 0.2163
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0225 0.3722
Trichomonas vaginalis glucosylceramidase, putative 0.3363 0.9112 1
Trichomonas vaginalis trehalase, putative 0.0132 0.0267 0.0247
Trichomonas vaginalis maltase-glucoamylase, putative 0.0403 0.101 0.1067
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0082 0.0234
Echinococcus multilocularis bile acid beta glucosidase 0.062 0.1604 0.1604
Echinococcus multilocularis ceramide glucosyltransferase 0.1703 0.4567 0.4567
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Schistosoma mansoni alpha-glucosidase 0.3296 0.893 1
Onchocerca volvulus 0.0321 0.0785 0.1127
Onchocerca volvulus 0.0132 0.0267 0.0343
Echinococcus multilocularis beta galactosidase 0.0642 0.1665 0.1665
Brugia malayi glutathione reductase 0.0046 0.0032 0.0032
Trypanosoma brucei glucosidase, putative 0.0825 0.2163 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0384 0.0958 0.1009
Onchocerca volvulus 0.0321 0.0785 0.1127
Trichomonas vaginalis alpha-glucosidase, putative 0.0403 0.101 0.1067
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0466 0.1183 0.1183
Loa Loa (eye worm) alpha-L-fucosidase 0.144 0.3848 0.3848
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0193 0.3105
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0193 0.3105
Trypanosoma brucei protein kinase, putative 0.005 0.0042 0.0049
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.0561 0.0561
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0403 0.101 0.1067
Brugia malayi manba-prov protein 0.0104 0.019 0.019
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0042 0.0042
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0066 0.0066
Trichomonas vaginalis alpha-glucosidase, putative 0.0403 0.101 0.1067
Schistosoma mansoni ceramide glucosyltransferase 0.1703 0.4567 0.5115
Echinococcus granulosus ceramide glucosyltransferase 0.1703 0.4567 0.4567
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0014 0.0014
Brugia malayi vesicular acetylcholine transporter unc-17 0.0466 0.1183 0.1183
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Trichomonas vaginalis alpha-glucosidase, putative 0.0825 0.2163 0.2339
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0321 0.0785 0.0785
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0233 0.0545 0.0554
Onchocerca volvulus 0.0132 0.0267 0.0343
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0384 0.0958 0.1009
Brugia malayi hypothetical protein 0.0132 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0132 0.0267 0.0267
Mycobacterium tuberculosis Probable reductase 0.0105 0.0193 0.3105
Trichomonas vaginalis conserved hypothetical protein 0.0132 0.0267 0.0247
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0268 0.0641 0.0718
Brugia malayi hypothetical protein 0.0046 0.0031 0.0031
Brugia malayi Beta-glucuronidase precursor 0.0104 0.019 0.019
Schistosoma mansoni hypothetical protein 0.0035 0.0002 0.0003
Trichomonas vaginalis set domain proteins, putative 0.0232 0.0541 0.055
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0268 0.0641 0.0641
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0082 0.0234
Echinococcus granulosus glycogen debranching enzyme 0.0384 0.0958 0.0958
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0042 0.0049
Loa Loa (eye worm) hypothetical protein 0.0642 0.1665 0.1665
Onchocerca volvulus 0.0321 0.0785 0.1127
Loa Loa (eye worm) trehalase 0.0132 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0046 0.0031 0.0031
Schistosoma mansoni survival motor neuron protein 0.0049 0.004 0.0044
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0187 0.0418 0.0418
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0008 0.0008
Leishmania major lanosterol synthase, putative 0.0359 0.0889 0.4022
Trichomonas vaginalis glucosylceramidase, putative 0.3363 0.9112 1
Treponema pallidum hypothetical protein 0.0046 0.0031 0.5
Trichomonas vaginalis glycoside hydrolases, putative 0.0387 0.0965 0.1017
Trichomonas vaginalis alpha-glucosidase, putative 0.0403 0.101 0.1067
Loa Loa (eye worm) hypothetical protein 0.0403 0.101 0.101
Schistosoma mansoni hypothetical protein 0.0049 0.004 0.0044
Onchocerca volvulus Glucosylceramidase homolog 0.2293 0.6183 0.9283
Echinococcus multilocularis vesicular acetylcholine transporter 0.0466 0.1183 0.1183
Schistosoma mansoni hypothetical protein 0.0494 0.1258 0.1409
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0225 0.3722
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0825 0.2163 0.2339
Loa Loa (eye worm) hypothetical protein 0.0239 0.0561 0.0561
Trichomonas vaginalis glucosylceramidase, putative 0.2293 0.6183 0.6771
Trichomonas vaginalis glucosylceramidase, putative 0.2284 0.616 0.6745
Schistosoma mansoni ceramide glucosyltransferase 0.1703 0.4567 0.5115
Echinococcus multilocularis glycogen debranching enzyme 0.0384 0.0958 0.0958
Schistosoma mansoni hypothetical protein 0.0304 0.0737 0.0825
Brugia malayi hypothetical protein 0.0086 0.0142 0.0142
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0236 0.0551 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0042 0.0049
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0042 0.0042
Trichomonas vaginalis glucosylceramidase, putative 0.3363 0.9112 1
Trypanosoma cruzi phospholipase A1, putative 0.0321 0.0785 0.3535
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Schistosoma mansoni beta-galactosidase 0.0642 0.1665 0.1864
Brugia malayi Trehalase family protein 0.0132 0.0267 0.0267
Brugia malayi MAP kinase sur-1 0.005 0.0042 0.0042
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0384 0.0958 0.4344
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0632 0.1635 0.1757
Schistosoma mansoni alpha glucosidase 0.0825 0.2163 0.2423
Trypanosoma brucei lanosterol synthase 0.0381 0.0948 0.4299
Trichomonas vaginalis glucosylceramidase, putative 0.3363 0.9112 1
Loa Loa (eye worm) trehalase 0.0132 0.0267 0.0267
Trichomonas vaginalis beta-galactosidase, putative 0.032 0.0782 0.0816
Trichomonas vaginalis glucosylceramidase, putative 0.3363 0.9112 1
Echinococcus multilocularis non lysosomal glucosylceramidase 0.062 0.1604 0.1604
Trypanosoma cruzi lanosterol synthase, putative 0.0381 0.0948 0.4299
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0403 0.101 0.459
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0195 0.0439 0.1908
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0268 0.0641 0.0641
Loa Loa (eye worm) hypothetical protein 0.0384 0.0958 0.0958
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0042 0.0042
Schistosoma mansoni bile acid beta-glucosidase-related 0.062 0.1604 0.1797
Leishmania major phospholipase A1, putative 0.0321 0.0785 0.3535
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0082 0.0234
Trichomonas vaginalis glucosylceramidase, putative 0.2284 0.616 0.6745
Loa Loa (eye worm) trehalase 0.0046 0.0031 0.0031
Trichomonas vaginalis alpha-glucosidase, putative 0.0825 0.2163 0.2339

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 50 ug ml-1 Cytotoxic concentration reducing HEL cell growth by 50%. ChEMBL. 12217359
CC50 (functional) > 50 ug ml-1 Cytotoxic concentration reducing HEL cell growth by 50%. ChEMBL. 12217359
IC50 (functional) > 20 ug ml-1 Antiviral activity was tested against TK- varicella-zoster virus 07/1 which reduces virus plaque formation by 50% ChEMBL. 12217359
IC50 (functional) = 20 ug ml-1 Antiviral activity was tested against TK- varicella-zoster virus YS/R which reduces virus plaque formation by 50% ChEMBL. 12217359
IC50 (functional) > 50 ug ml-1 Antiviral activity was tested against human cytomegalovirus AD-169 which reduces virus plaque formation by 50% ChEMBL. 12217359
IC50 (functional) = 50 ug ml-1 Antiviral activity was tested against human cytomegalovirus Davis which reduces virus plaque formation by 50% ChEMBL. 12217359
IC50 (functional) = 50 ug ml-1 Antiviral activity was tested against TK+ varicella-zoster virus YS which reduces virus plaque formation by 50% ChEMBL. 12217359
IC50 (functional) > 50 ug ml-1 Antiviral activity was tested against TK+ varicella-zoster virus OKA which reduces virus plaque formation by 50% ChEMBL. 12217359
IC50 (functional) = 155 ug ml-1 Antiproliferative activity was tested against human T-lymphocyte cells-Molt 4/C8 ChEMBL. 12217359
IC50 (functional) = 158 ug ml-1 Antiproliferative activity was tested against human T-lymphocyte cells-CEM/0 ChEMBL. 12217359
IC50 (functional) >= 200 ug ml-1 Antiproliferative activity was tested against murine leukemia cells-L1210/0 ChEMBL. 12217359
IC50 (functional) >= 200 ug ml-1 Antiproliferative activity was tested against murine leukemia cells-L1210/0 ChEMBL. 12217359
MCC (functional) > 50 ug ml-1 Minimum cytotoxic concentration against HEL cell morphology. ChEMBL. 12217359
MCC (functional) > 50 ug ml-1 Minimum cytotoxic concentration against HEL cell morphology. ChEMBL. 12217359

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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