Detailed information for compound 21596

Basic information

Technical information
  • TDR Targets ID: 21596
  • Name: 9-benzyl-6-thiophen-2-ylpurine
  • MW: 292.358 | Formula: C16H12N4S
  • H donors: 0 H acceptors: 3 LogP: 3.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)Cn1cnc2c1ncnc2c1cccs1
  • InChi: 1S/C16H12N4S/c1-2-5-12(6-3-1)9-20-11-19-15-14(13-7-4-8-21-13)17-10-18-16(15)20/h1-8,10-11H,9H2
  • InChiKey: PAAXDEJAQCUKRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-benzyl-6-(2-thienyl)purine
  • 9-(phenylmethyl)-6-thiophen-2-yl-purine
  • 9-(phenylmethyl)-6-thiophen-2-ylpurine
  • 9-(phenylmethyl)-6-(2-thienyl)purine
  • 9-(benzyl)-6-(2-thienyl)purine
  • 9-Benzyl-6-(2-thienyl)-9H-purine
  • AIDS-050065
  • AIDS050065

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
Loa Loa (eye worm) TRE-1 protein 0.0395 0.0472 0.0469
Schistosoma mansoni beta-mannosidase 0.0187 0.0201 0.0227
Echinococcus granulosus ceramide glucosyltransferase 0.1218 0.1541 0.1541
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0899 0.1127 0.1124
Trichomonas vaginalis glycoside hydrolase, putative 0.0752 0.0936 0.2494
Echinococcus multilocularis beta galactosidase 0.1083 0.1366 0.1366
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0061 0.0038 0.0043
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0451 0.0544 0.0614
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1775 0.2264 0.9097
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0101 0.0089 0.023
Trypanosoma cruzi hypothetical protein, conserved 0.1944 0.2485 1
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0101 0.0089 0.0089
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0097 0.0693
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0024 0.0056
Trichomonas vaginalis alpha-glucosidase, putative 0.0899 0.1127 0.3007
Echinococcus granulosus bile acid beta glucosidase 0.1066 0.1343 0.1343
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1944 0.2485 0.6639
Loa Loa (eye worm) hypothetical protein 0.0137 0.0137 0.0133
Brugia malayi Glycosyl hydrolases family 38 protein 0.0095 0.0082 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.0263 0.0301 0.0795
Loa Loa (eye worm) hypothetical protein 0.0101 0.0089 0.0086
Loa Loa (eye worm) hypothetical protein 0.0137 0.0137 0.0133
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.5373 0.6938 0.6938
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0041 0.0047
Trichomonas vaginalis maltase-glucoamylase, putative 0.0899 0.1127 0.3007
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0091 0.0076 0.0057
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0043 0.0024
Echinococcus granulosus beta galactosidase 0.1083 0.1366 0.1366
Schistosoma mansoni intermediate filament proteins 0.0053 0.0028 0.0032
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.0256 0.0256
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.0112 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0043 0.0097
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0451 0.0544 0.0544
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0899 0.1127 0.444
Loa Loa (eye worm) hypothetical protein 0.0052 0.0027 0.0024
Echinococcus granulosus expressed protein 0.0367 0.0435 0.0435
Trichomonas vaginalis glucosylceramidase, putative 0.2911 0.3741 1
Schistosoma mansoni alpha-glucosidase 0.6855 0.8863 1
Echinococcus multilocularis bile acid beta glucosidase 0.1066 0.1343 0.1343
Loa Loa (eye worm) hypothetical protein 0.1269 0.1608 0.1605
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0151 0.0171
Onchocerca volvulus 0.0395 0.0472 0.0644
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0101 0.0089 0.0101
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0024 0.0056
Brugia malayi lysosomal alpha-mannosidase 0.0095 0.0082 0.0063
Schistosoma mansoni bile acid beta-glucosidase-related 0.1066 0.1343 0.1515
Schistosoma mansoni bile acid beta-glucosidase-related 0.1066 0.1343 0.1515
Echinococcus multilocularis dnaJ subfamily B 0.0427 0.0513 0.0513
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0899 0.1127 0.3007
Echinococcus multilocularis vesicular acetylcholine transporter 0.0219 0.0243 0.0243
Schistosoma mansoni mannosidase alpha class 2a 0.0095 0.0082 0.0093
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Brugia malayi Glycosyl hydrolases family 38 protein 0.015 0.0154 0.0135
Leishmania major glycosyl hydrolase-like protein 0.0899 0.1127 0.4494
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1066 0.1343 0.1343
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0024 0.002
Mycobacterium tuberculosis Possible conserved exported protein 0.0905 0.1135 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0038 0.0034
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0382 0.0455 0.1208
Trichomonas vaginalis alpha-glucosidase, putative 0.0899 0.1127 0.3007
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.1218 0.1541 0.2164
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.2911 0.3741 0.3729
Loa Loa (eye worm) hypothetical protein 0.0137 0.0137 0.0133
Loa Loa (eye worm) hypothetical protein 0.0137 0.0137 0.0133
Onchocerca volvulus Trehalase homolog 0.0395 0.0472 0.0644
Schistosoma mansoni hypothetical protein 0.0427 0.0513 0.0579
Trichomonas vaginalis glucosylceramidase, putative 0.2013 0.2574 0.6878
Schistosoma mansoni hypothetical protein 0.0659 0.0815 0.0919
Brugia malayi TAR-binding protein 0.0066 0.0045 0.0025
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0249 0.0283 0.028
Trypanosoma brucei glycosyl hydrolase-like protein 0.0899 0.1127 0.4494
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0083 0.0067 0.0171
Echinococcus multilocularis lamin 0.0053 0.0028 0.0028
Echinococcus granulosus lysosomal alpha mannosidase 0.0134 0.0133 0.0133
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0513 0.0625 0.1662
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0101 0.0089 0.023
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Loa Loa (eye worm) hypothetical protein 0.0228 0.0256 0.0252
Schistosoma mansoni survival motor neuron protein 0.0047 0.0019 0.0022
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0024 0.002
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0024 0.0056
Loa Loa (eye worm) hypothetical protein 0.0091 0.0076 0.0073
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0219 0.0243 0.024
Onchocerca volvulus Glucosylceramidase homolog 0.191 0.244 0.3442
Trypanosoma brucei Sterol methyltransferase, putative 0.0186 0.02 0.0734
Echinococcus multilocularis lysosomal alpha glucosidase 0.773 1 1
Schistosoma mansoni alpha-l-fucosidase 0.4342 0.5599 0.6318
Giardia lamblia Ceramide glucosyltransferase 0.0552 0.0676 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0024 0.002
Trichomonas vaginalis glucosylceramidase, putative 0.2911 0.3741 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0382 0.0455 0.0513
Brugia malayi hypothetical protein 0.0137 0.0137 0.0118
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0043 0.0043
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Loa Loa (eye worm) hypothetical protein 0.0087 0.0071 0.0068
Brugia malayi Glycosyl hydrolases family 38 protein 0.0095 0.0082 0.0063
Schistosoma mansoni hypothetical protein 0.0429 0.0516 0.0583
Trichomonas vaginalis glucosylceramidase, putative 0.2911 0.3741 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0024 0.002
Brugia malayi Glycosyl hydrolases family 31 protein 0.0899 0.1127 0.111
Loa Loa (eye worm) trehalase 0.0395 0.0472 0.0469
Trichomonas vaginalis beta-mannosidase, putative 0.0187 0.0201 0.0529
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1905 0.2433 0.6502
Loa Loa (eye worm) hypothetical protein 0.0382 0.0455 0.0452
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0043 0.0043
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0101 0.0089 0.0089
Trichomonas vaginalis alpha-glucosidase, putative 0.1944 0.2485 0.6639
Brugia malayi Melibiase family protein 0.0382 0.0455 0.0437
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0134 0.0133 0.046
Onchocerca volvulus 0.0095 0.0082 0.009
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0126 0.0122 0.0925
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0024 0.0027
Loa Loa (eye worm) hypothetical protein 0.0395 0.0472 0.0469
Brugia malayi manba-prov protein 0.0299 0.0348 0.0329
Loa Loa (eye worm) hypothetical protein 0.0395 0.0472 0.0469
Echinococcus granulosus lamin 0.0053 0.0028 0.0028
Schistosoma mansoni ceramide glucosyltransferase 0.1218 0.1541 0.1739
Loa Loa (eye worm) hypothetical protein 0.0095 0.0082 0.0079
Brugia malayi trehalase 0.0137 0.0137 0.0118
Trichomonas vaginalis beta-glucosidase, putative 0.0932 0.1169 0.312
Trichomonas vaginalis glycoside hydrolases, putative 0.0932 0.1169 0.312
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0045 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0395 0.0472 0.1255
Leishmania major alpha glucosidase II subunit, putative 0.1944 0.2485 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.773 1 1
Brugia malayi hypothetical protein 0.0137 0.0137 0.0118
Onchocerca volvulus 0.0395 0.0472 0.0644
Echinococcus granulosus lamin dm0 0.0053 0.0028 0.0028
Echinococcus granulosus neutral alpha glucosidase AB 0.1944 0.2485 0.2485
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0043 0.0097
Trichomonas vaginalis beta-galactosidase, putative 0.0559 0.0685 0.1823
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0236 0.0265 0.0262
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0033 0.0054
Onchocerca volvulus 0.0053 0.0028 0.0013
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0024 0.0056
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0219 0.0243 0.0319
Brugia malayi Ceramide glucosyltransferase 0.1218 0.1541 0.1525
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0134 0.0133 0.046
Entamoeba histolytica glycogen debranching enzyme, putative 0.0513 0.0625 0.2382
Echinococcus granulosus alpha mannosidase 2 0.0034 0.0003 0.0003
Treponema pallidum hypothetical protein 0.0137 0.0137 0.5
Echinococcus multilocularis beta mannosidase 0.0082 0.0065 0.0065
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0028 0.0025
Mycobacterium tuberculosis Probable reductase 0.0106 0.0097 0.0693
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0134 0.0133 0.046
Loa Loa (eye worm) hypothetical protein 0.0513 0.0625 0.0621
Loa Loa (eye worm) hypothetical protein 0.1083 0.1366 0.1363
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0045 0.005
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0899 0.1127 0.4494
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Echinococcus granulosus fucosidase alpha L 1 tissue 0.5373 0.6938 0.6938
Loa Loa (eye worm) hypothetical protein 0.0095 0.0082 0.0079
Trypanosoma brucei protein kinase, putative 0.005 0.0024 0.002
Echinococcus multilocularis musashi 0.0053 0.0028 0.0028
Brugia malayi Trehalase family protein 0.0395 0.0472 0.0454
Brugia malayi Trehalase protein 5 0.0137 0.0137 0.0118
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0024 0.0024
Onchocerca volvulus 0.0095 0.0082 0.009
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1905 0.2433 0.6502
Echinococcus granulosus vesicular acetylcholine transporter 0.0219 0.0243 0.0243
Entamoeba histolytica beta-galactosidase, putative 0.0341 0.0402 0.1469
Brugia malayi Glycosyl hydrolases family 31 protein 0.1944 0.2485 0.247
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0043 0.0097
Loa Loa (eye worm) hypothetical protein 0.0395 0.0472 0.0469
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.0112 0.0831
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0024 0.002
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0045 0.005
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0899 0.1127 0.4494
Leishmania major sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0101 0.0089 0.023
Loa Loa (eye worm) mannosidase 0.0101 0.0089 0.0086
Trichomonas vaginalis alpha-glucosidase, putative 0.0899 0.1127 0.3007
Leishmania major lanosterol synthase, putative 0.0189 0.0205 0.0753
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1944 0.2485 0.6639
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.2911 0.3741 0.3738
Loa Loa (eye worm) glutathione reductase 0.0046 0.0019 0.0016
Echinococcus granulosus lysosomal alpha glucosidase 0.773 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0024 0.0021
Trichomonas vaginalis alpha-glucosidase, putative 0.0899 0.1127 0.3007
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0089 0.023
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0024 0.002
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0899 0.1127 0.3007
Schistosoma mansoni vesicular acetylcholine transporter 0.0219 0.0243 0.0275
Brugia malayi Trehalase family protein 0.0395 0.0472 0.0454
Brugia malayi hypothetical protein 0.0228 0.0256 0.0237
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0513 0.0625 0.0607
Onchocerca volvulus 0.0395 0.0472 0.0644
Trichomonas vaginalis glucosylceramidase, putative 0.2911 0.3741 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0045 0.0041
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0451 0.0544 0.0614
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0101 0.0089 0.023
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0899 0.1127 0.1575
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0101 0.0089 0.023
Schistosoma mansoni hypothetical protein 0.0047 0.0019 0.0022
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0236 0.0265 0.0247
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0097 0.0693
Trypanosoma brucei lanosterol synthase 0.0189 0.0205 0.0753
Loa Loa (eye worm) hypothetical protein 0.0258 0.0294 0.0291
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.015 0.0154 0.0402
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.0151 0.0151
Onchocerca volvulus 0.5461 0.7053 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0097 0.0693
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0134 0.0133 0.015
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Trichomonas vaginalis alpha-glucosidase, putative 0.1944 0.2485 0.6639
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0024 0.0024
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0024 0.002
Echinococcus multilocularis expressed protein 0.0367 0.0435 0.0435
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0045 0.0025
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.0137 0.0137
Trypanosoma cruzi lanosterol synthase, putative 0.0189 0.0205 0.0753
Brugia malayi MAP kinase sur-1 0.005 0.0024 0.0005
Loa Loa (eye worm) alpha-L-fucosidase 0.4342 0.5599 0.5598
Trichomonas vaginalis maltase-glucoamylase, putative 0.1944 0.2485 0.6639
Schistosoma mansoni lamin 0.0053 0.0028 0.0032
Brugia malayi Trehalase family protein 0.0137 0.0137 0.0118
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0095 0.0082 0.0093
Toxoplasma gondii melibiase subfamily protein 0.0451 0.0544 0.213
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0028 0.0025
Loa Loa (eye worm) trehalase 0.0395 0.0472 0.0469
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0043 0.0097
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0097 0.0693
Echinococcus granulosus intermediate filament protein 0.0053 0.0028 0.0028
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0101 0.0089 0.007
Brugia malayi vesicular acetylcholine transporter unc-17 0.0219 0.0243 0.0225
Schistosoma mansoni lamin 0.0053 0.0028 0.0032
Trichomonas vaginalis alpha-glucosidase, putative 0.1944 0.2485 0.6639
Trichomonas vaginalis glucosylceramidase, putative 0.2911 0.3741 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0101 0.0089 0.023
Echinococcus multilocularis glycogen debranching enzyme 0.0513 0.0625 0.0625
Brugia malayi hypothetical protein 0.0395 0.0472 0.0454
Entamoeba histolytica alpha-1,2-mannosidase, putative 0.0905 0.1135 0.4472
Leishmania major sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Brugia malayi Alpha-L-fucosidase family protein 0.4342 0.5599 0.5591
Brugia malayi intermediate filament protein 0.0053 0.0028 0.0009
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0451 0.0544 0.0544
Loa Loa (eye worm) beta-glucuronidase 0.0218 0.0242 0.0238
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0105 0.0096 0.031
Echinococcus multilocularis neutral alpha glucosidase AB 0.1944 0.2485 0.2485
Loa Loa (eye worm) TRE-2 protein 0.0395 0.0472 0.0469
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0331 0.0389 1
Brugia malayi trehalase I 0.0137 0.0137 0.0118
Brugia malayi Trehalase family protein 0.0395 0.0472 0.0454
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0008 0.0008
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0101 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0395 0.0472 0.0469
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0045 0.0041
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0045 0.005
Loa Loa (eye worm) manba-prov protein 0.0082 0.0065 0.0062
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0024 0.0024
Trichomonas vaginalis alpha-glucosidase, putative 0.1944 0.2485 0.6639
Echinococcus multilocularis lamin dm0 0.0053 0.0028 0.0028
Loa Loa (eye worm) ceramide glucosyltransferase 0.1218 0.1541 0.1538
Echinococcus granulosus glycogen debranching enzyme 0.0513 0.0625 0.0625
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1944 0.2485 0.2482
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.0112 0.0831
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0045 0.005
Loa Loa (eye worm) hypothetical protein 0.01 0.0088 0.0085
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0513 0.0625 0.1662
Mycobacterium ulcerans alpha-L-fucosidase 0.5373 0.6938 1
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0513 0.0625 0.2456
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0513 0.0625 0.9209
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0382 0.0455 0.0513
Trichomonas vaginalis trehalase, putative 0.0395 0.0472 0.1255
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.0256 0.0256
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0451 0.0544 0.0614
Echinococcus multilocularis ceramide glucosyltransferase 0.1218 0.1541 0.1541
Schistosoma mansoni hypothetical protein 0.0137 0.0137 0.0155
Echinococcus multilocularis alpha mannosidase 2 0.0095 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0395 0.0472 0.0469
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0101 0.0089 0.0086
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0451 0.0544 0.0544
Onchocerca volvulus 0.0053 0.0028 0.0013
Loa Loa (eye worm) RNA binding protein 0.0066 0.0045 0.0041
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.1944 0.2485 1
Schistosoma mansoni hypothetical protein 0.037 0.044 0.0496
Schistosoma mansoni beta-galactosidase 0.1083 0.1366 0.1541
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0101 0.0089 0.0089
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0451 0.0544 0.0614
Trichomonas vaginalis alpha-glucosidase, putative 0.1944 0.2485 0.6639
Loa Loa (eye worm) hypothetical protein 0.0053 0.0028 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.2013 0.2574 0.6878
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0024 0.0024
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0043 0.0049
Trichomonas vaginalis alpha-mannosidase, putative 0.015 0.0154 0.0402
Brugia malayi Beta-glucuronidase precursor 0.0218 0.0242 0.0223
Plasmodium vivax hypothetical protein, conserved 0.0331 0.0389 1
Echinococcus multilocularis transfer RNA-Trp 0.0101 0.0089 0.0089
Brugia malayi hypothetical protein 0.0137 0.0137 0.0118
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Onchocerca volvulus 0.0395 0.0472 0.0644
Trypanosoma cruzi lanosterol synthase, putative 0.0189 0.0205 0.0753
Echinococcus granulosus non lysosomal glucosylceramidase 0.1066 0.1343 0.1343
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0043 0.004
Schistosoma mansoni alpha-glucosidase 0.6855 0.8863 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.773 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0019 0.0019
Schistosoma mansoni alpha glucosidase 0.1944 0.2485 0.2803
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0097 0.0085 0.0266
Echinococcus multilocularis lysosomal alpha mannosidase 0.0134 0.0133 0.0133
Trichomonas vaginalis glucosylceramidase, putative 0.191 0.244 0.652
Trypanosoma brucei glucosidase, putative 0.1944 0.2485 1
Brugia malayi Trehalase family protein 0.0395 0.0472 0.0454
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0008 0.0008
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0097 0.0693
Brugia malayi RNA binding protein 0.0066 0.0045 0.0025
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0019 0.0016
Echinococcus granulosus beta mannosidase 0.0082 0.0065 0.0065
Trichomonas vaginalis sucrase-isomaltase, putative 0.1775 0.2264 0.6049
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.0112 0.0831
Echinococcus granulosus tar DNA binding protein 0.0066 0.0045 0.0045
Trichomonas vaginalis alpha-glucosidase, putative 0.0899 0.1127 0.3007
Loa Loa (eye worm) hypothetical protein 0.0719 0.0893 0.089
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0151 0.0171
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0028 0.0009
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0186 0.02 0.0734
Schistosoma mansoni ceramide glucosyltransferase 0.1218 0.1541 0.1739
Brugia malayi hypothetical protein 0.0115 0.0108 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0559 0.0685 0.1823
Trypanosoma cruzi hypothetical protein, conserved 0.1944 0.2485 1
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0045 0.0045
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.015 0.0154 0.015
Onchocerca volvulus 0.0395 0.0472 0.0644
Loa Loa (eye worm) trehalase 0.0137 0.0137 0.0133
Brugia malayi Trehalase family protein 0.0137 0.0137 0.0118
Trichomonas vaginalis glucosylceramidase, putative 0.2911 0.3741 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0101 0.0089 0.023
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1944 0.2485 1
Loa Loa (eye worm) trehalase 0.0137 0.0137 0.0133
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0024 0.002
Echinococcus granulosus dnaJ subfamily B 0.0427 0.0513 0.0513
Loa Loa (eye worm) trehalase 0.0395 0.0472 0.0469
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0089 0.0075 0.0191

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 ug ml-1 Compound was tested for its cytotoxicity in VERO cells (at concentration less than or equal to 62.5 ug/mL or 10 times the MIC for M. tuberculosis H37Rv); Not determined ChEMBL. 10866382
IC50 (functional) > 10 ug ml-1 Minimum inhibitory concentration for testing cytotoxicity in VERO cells ChEMBL. 11882008
IC50 (functional) < 10 ug ml-1 Cytostatic activity against chronic myelogenous leukemia cells (K-562) based on its ability to inhibit [3H]-thymidine incorporation (at 1.0 g/ml) ChEMBL. 11882008
IC50 (functional) < 10 ug ml-1 Cytostatic activity against chronic myelogenous leukemia cells (K-562) based on its ability to inhibit [3H]-thymidine incorporation (at 1.0 g/ml) ChEMBL. 11882008
Inhibition (functional) > 90 % Percent inhibition of M. tuberculosis H37Rv at 6.25 g/ml concentration in BACTEC 12B medium using microplate alamar blue assay ChEMBL. 11882008
Inhibition (functional) > 90 % Percent inhibition of M. tuberculosis H37Rv at 6.25 g/ml concentration in BACTEC 12B medium using microplate alamar blue assay ChEMBL. 11882008
Inhibition (functional) = 92 % Inhibitory activity (at 12.5 microg/mL) against Mycobacterium tuberculosis H37Rv in BACTEC 12B medium using the Microplate Alamar Blue Assay ChEMBL. 10866382
Inhibition (functional) = 92 % Inhibitory activity (at 12.5 microg/mL) against Mycobacterium tuberculosis H37Rv in BACTEC 12B medium using the Microplate Alamar Blue Assay ChEMBL. 10866382
MIC (functional) = 6.25 ug ml-1 Minimum inhibitory concentration against Mycobacterium tuberculosis H37Rv in BACTEC 12B medium using the Microplate Alamar Blue Assay ChEMBL. 10866382
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against M. tuberculosis H37Rv in BACTEC 12B medium using microplate alamar blue assay ChEMBL. 11882008
MIC (functional) = 6.25 ug ml-1 Minimum inhibitory concentration against Mycobacterium tuberculosis H37Rv in BACTEC 12B medium using the Microplate Alamar Blue Assay ChEMBL. 10866382
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against M. tuberculosis H37Rv in BACTEC 12B medium using microplate alamar blue assay ChEMBL. 11882008
Selectivity index (functional) > 1.6 Selectivity Index,SI = IC50:MIC.ND means not determined. ChEMBL. 11882008

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11882008

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

2 literature references were collected for this gene.

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