Detailed information for compound 1276987

Basic information

Technical information
  • TDR Targets ID: 1276987
  • Name: 5-(4-ethylpiperazin-1-yl)-2-[(E)-2-phenylethe nyl]-1,3-oxazole-4-carbonitrile
  • MW: 308.378 | Formula: C18H20N4O
  • H donors: 0 H acceptors: 2 LogP: 3.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)c1oc(nc1C#N)/C=C/c1ccccc1
  • InChi: 1S/C18H20N4O/c1-2-21-10-12-22(13-11-21)18-16(14-19)20-17(23-18)9-8-15-6-4-3-5-7-15/h3-9H,2,10-13H2,1H3/b9-8+
  • InChiKey: RKLLQLQRLGYKFA-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-ethylpiperazin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
  • 5-(4-ethylpiperazin-1-yl)-2-[(E)-2-phenylvinyl]oxazole-4-carbonitrile
  • 5-(4-ethylpiperazin-1-yl)-2-(2-phenylvinyl)oxazole-4-carbonitrile
  • 5-(4-ethyl-1-piperazinyl)-2-(2-phenylvinyl)-4-oxazolecarbonitrile
  • 5-(4-ethyl-1-piperazinyl)-2-[(E)-2-phenylvinyl]-4-oxazolecarbonitrile
  • STOCK4S-50103
  • MLS000762514
  • SMR000438033
  • 5-(4-Ethyl-piperazin-1-yl)-2-((E)-styryl)-oxazole-4-carbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
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 glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei histone deacetylase 3 0.0274 0.3719 0.8857
Echinococcus multilocularis GPCR, family 2 0.0051 0.0428 0.0426
Loa Loa (eye worm) RNA binding protein 0.0262 0.3547 0.8295
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0086 0.0086
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0373 0.0371
Trypanosoma cruzi histone deacetylase, putative 0.0274 0.3719 0.8857
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2218 1
Entamoeba histolytica hypothetical protein 0.0074 0.0764 0.0978
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0373 0.0691
Loa Loa (eye worm) TAR-binding protein 0.0262 0.3547 0.8295
Loa Loa (eye worm) hypothetical protein 0.0269 0.365 0.8536
Loa Loa (eye worm) hypothetical protein 0.0151 0.19 0.4443
Trichomonas vaginalis histone deacetylase, putative 0.0269 0.365 0.7301
Loa Loa (eye worm) hypothetical protein 0.0162 0.2062 0.4821
Schistosoma mansoni hypothetical protein 0.0111 0.1306 0.1306
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.1449 0.6454
Brugia malayi histone deacetylase 1 (HD1) 0.0269 0.365 0.8536
Brugia malayi Thioredoxin reductase 0.0047 0.0373 0.0868
Schistosoma mansoni histone deacetylase 1 2 3 0.0123 0.1492 0.1492
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0308 0.0622
Echinococcus granulosus histone deacetylase 6 0.0274 0.3719 0.3718
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0308 0.0622
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2577 0.2575
Leishmania major mitochondrial DNA polymerase beta 0.0306 0.4192 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0349 0.0817
Trypanosoma brucei histone deacetylase 4 0.0274 0.3719 0.8857
Trichomonas vaginalis histone deacetylase, putative 0.0269 0.365 0.7301
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3547 0.3547
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0317 0.0636
Trypanosoma brucei glucosidase, putative 0.0044 0.0317 0.0644
Loa Loa (eye worm) histone deacetylase 3 0.0269 0.365 0.8536
Toxoplasma gondii hypothetical protein 0.0049 0.0402 0.0838
Echinococcus multilocularis histone deacetylase 1 0.0269 0.365 0.3649
Echinococcus granulosus cytochrome P450 2K1 0.0026 0.005 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0488 0.0488
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1801 0.4211
Leishmania major trypanothione reductase 0.0047 0.0373 0.078
Trypanosoma cruzi histone deacetylase 1, putative 0.0269 0.365 0.8692
Schistosoma mansoni histone deacetylase 0.0269 0.365 0.365
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Schistosoma mansoni voltage-gated potassium channel 0.0084 0.0915 0.0915
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0488 0.1137
Loa Loa (eye worm) histone deacetylase 7A 0.0274 0.3719 0.8697
Loa Loa (eye worm) hypothetical protein 0.0044 0.0319 0.0746
Toxoplasma gondii histone deacetylase HDAC4 0.031 0.4242 1
Schistosoma mansoni histone deacetylase hda2 0.0123 0.1492 0.1492
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.062 0.0618
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0044 0.0321 0.1247
Echinococcus multilocularis histone deacetylase 6 0.0274 0.3719 0.3718
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0447 0.0958
Echinococcus granulosus histone deacetylase 7 0.0274 0.3719 0.3718
Loa Loa (eye worm) hypothetical protein 0.018 0.2335 0.5461
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4276 0.8672
Mycobacterium tuberculosis Probable reductase 0.0108 0.1271 0.5631
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3547 0.3547
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0386 0.0383
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.2062 0.4819
Plasmodium falciparum histone deacetylase 1 0.0269 0.365 0.9811
Trypanosoma cruzi cytochrome P450, putative 0.0044 0.0321 0.0652
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0488 0.0488
Trypanosoma cruzi histone deacetylase, putative 0.0123 0.1492 0.348
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4276 0.8672
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Echinococcus multilocularis histone deacetylase 6 0.0274 0.3719 0.3718
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0317 0.0644
Trypanosoma cruzi histone deacetylase, putative 0.0123 0.1492 0.348
Loa Loa (eye worm) hypothetical protein 0.0041 0.0282 0.0658
Echinococcus granulosus histone deacetylase 6 0.0274 0.3719 0.3718
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.2053 0.9241
Brugia malayi Cytochrome P450 family protein 0.0064 0.0624 0.1454
Plasmodium vivax SET domain protein, putative 0.003 0.0115 0.007
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0373 0.149
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2218 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0115 0.0113
Loa Loa (eye worm) hypothetical protein 0.0186 0.2423 0.5667
Loa Loa (eye worm) hypothetical protein 0.024 0.3211 0.751
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.003 0.0028
Brugia malayi Bromodomain containing protein 0.0081 0.0863 0.2014
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0373 0.0371
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4276 0.8672
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0386 0.0386
Schistosoma mansoni microtubule-associated protein tau 0.07 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.0735 0.0916
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0373 0.0873
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.4276 1
Schistosoma mansoni hypothetical protein 0.0074 0.0764 0.0764
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0099 0.0097
Loa Loa (eye worm) histone deacetylase 0.0274 0.3719 0.8697
Schistosoma mansoni hypothetical protein 0.0189 0.2467 0.2467
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.3211 0.321
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0308 0.0622
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0386 0.0386
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0488 0.0486
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.1449 0.6454
Brugia malayi hypothetical protein 0.0028 0.0086 0.0196
Plasmodium vivax glutathione reductase, putative 0.0047 0.0373 0.0691
Trichomonas vaginalis set domain proteins, putative 0.0238 0.3183 0.6276
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0269 0.365 0.7301
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0115 0.0115
Trichomonas vaginalis histone deacetylase, putative 0.0269 0.365 0.7301
Loa Loa (eye worm) hypothetical protein 0.018 0.2335 0.5461
Loa Loa (eye worm) glutathione reductase 0.0047 0.0373 0.0873
Schistosoma mansoni voltage-gated potassium channel 0.0084 0.0915 0.0915
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.4192 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.1271 0.5631
Schistosoma mansoni hypothetical protein 0.0051 0.0428 0.0428
Leishmania major cytochrome p450-like protein 0.0044 0.0321 0.0652
Brugia malayi Cytochrome P450 family protein 0.0026 0.005 0.0113
Schistosoma mansoni histone deacetylase 4 5 0.0274 0.3719 0.3719
Loa Loa (eye worm) hypothetical protein 0.0111 0.1306 0.3054
Brugia malayi Pre-SET motif family protein 0.0209 0.2757 0.6444
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.1271 0.5631
Toxoplasma gondii histone deacetylase HDAC5 0.0123 0.1492 0.3438
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0243 0.0241
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.1271 0.5631
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0077 0.081 0.0808
Echinococcus granulosus geminin 0.0189 0.2467 0.2465
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4883 1
Onchocerca volvulus 0.0114 0.1352 0.4034
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.1271 0.5631
Trichomonas vaginalis histone deacetylase, putative 0.0269 0.365 0.7301
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.1449 0.6454
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3547 0.3547
Brugia malayi Cytochrome P450 family protein 0.0044 0.0321 0.0745
Leishmania major histone deacetylase, putative 0.0269 0.365 0.8692
Onchocerca volvulus 0.0238 0.3183 1
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0428 0.0998
Schistosoma mansoni survival motor neuron protein 0.0049 0.0394 0.0394
Schistosoma mansoni histone deacetylase 4 5 0.0274 0.3719 0.3719
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2577 0.6024
Plasmodium vivax histone deacetylase 2, putative 0.0274 0.3719 0.8741
Schistosoma mansoni hypothetical protein 0.0189 0.2467 0.2467
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0086 0.0086
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.4192 1
Brugia malayi histone deacetylase 3 (HD3) 0.0269 0.365 0.8536
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0269 0.365 0.7301
Brugia malayi Cytochrome P450 family protein 0.0044 0.0321 0.0745
Leishmania major histone deacetylase, putative 0.0269 0.365 0.8692
Trypanosoma brucei cytochrome P450, putative 0.0044 0.0321 0.0652
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2577 0.2575
Brugia malayi Bromodomain containing protein 0.0041 0.028 0.0651
Brugia malayi RNA recognition motif domain containing protein 0.0262 0.3547 0.8294
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0262 0.3547 0.8295
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2856 0.5561
Trypanosoma brucei histone deacetylase 2 0.0123 0.1492 0.348
Mycobacterium ulcerans hypothetical protein 0.0161 0.2053 0.9241
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0321 0.075
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0306 0.4192 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0123 0.1492 0.4488
Trichomonas vaginalis histone deacetylase, putative 0.0269 0.365 0.7301
Entamoeba histolytica hypothetical protein 0.0074 0.0764 0.0978
Brugia malayi histone deacetylase 11 0.031 0.4242 0.992
Loa Loa (eye worm) hypothetical protein 0.0123 0.1492 0.3488
Loa Loa (eye worm) hypothetical protein 0.0051 0.0428 0.1002
Echinococcus granulosus histone deacetylase 0.0274 0.3719 0.3718
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.0735 0.0916
Toxoplasma gondii histone deacetylase HDAC2 0.0269 0.365 0.8588
Schistosoma mansoni hypothetical protein 0.0051 0.0428 0.0428
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4883 1
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0764 0.0764
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2218 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0077 0.081 0.1891
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.003 0.0028
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0002 0.0002
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4883 1
Toxoplasma gondii histone deacetylase HDAC3 0.0269 0.365 0.8588
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0243 0.0241
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2577 0.6026
Leishmania major histone deacetylase, putative 0.0274 0.3719 0.8857
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.1306 0.305
Echinococcus granulosus histone deacetylase 6 0.0274 0.3719 0.3718
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0428 0.0426
Echinococcus multilocularis tar DNA binding protein 0.0262 0.3547 0.3546
Brugia malayi Muscleblind-like protein 0.018 0.2335 0.5459
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0488 0.0486
Brugia malayi RNA binding protein 0.0262 0.3547 0.8294
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Loa Loa (eye worm) histone deacetylase 1 0.0269 0.365 0.8536
Schistosoma mansoni alpha glucosidase 0.0044 0.0317 0.0317
Trypanosoma brucei trypanothione reductase 0.0047 0.0373 0.078
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.2757 0.6446
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0002 0.0002
Schistosoma mansoni bromodomain containing protein 0.0068 0.0677 0.0677
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1812 0.4252
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1812 0.4252
Echinococcus granulosus tar DNA binding protein 0.0262 0.3547 0.3546
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4883 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.2172 0.2172
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0077 0.081 0.1895
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0308 0.0622
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0115 0.0154
Loa Loa (eye worm) cytochrome P450 0.0026 0.005 0.0118
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.1271 0.5631
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0428 0.0426
Plasmodium falciparum thioredoxin reductase 0.0047 0.0373 0.0791
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0428 0.1002
Plasmodium falciparum histone deacetylase 2 0.0274 0.3719 1
Echinococcus granulosus histone deacetylase 1 0.0269 0.365 0.3649
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3547 0.3547
Entamoeba histolytica histone deacetylase, putative 0.0269 0.365 0.7301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Echinococcus multilocularis histone deacetylase 7 0.0274 0.3719 0.3718
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0317 0.0644
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0317 0.0315
Entamoeba histolytica hypothetical protein 0.0074 0.0764 0.0978
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Echinococcus granulosus muscleblind protein 0.018 0.2335 0.2334
Brugia malayi hypothetical protein 0.024 0.3211 0.7509
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.4276 1
Brugia malayi Pre-SET motif family protein 0.003 0.0115 0.0264
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2693 0.8405
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0086 0.0085
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0086 0.0086
Schistosoma mansoni histone deacetylase 0.0269 0.365 0.365
Toxoplasma gondii histone deacetylase HDAC1 0.0274 0.3719 0.8752
Plasmodium vivax histone deacetylase, putative 0.031 0.4242 1
Schistosoma mansoni hypothetical protein 0.0051 0.0428 0.0428
Echinococcus multilocularis 0.0026 0.005 0.0048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0488 0.0486
Trypanosoma cruzi cytochrome P450, putative 0.0044 0.0321 0.0652
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.1812 0.4252
Brugia malayi glutathione reductase 0.0047 0.0373 0.0868
Schistosoma mansoni hypothetical protein 0.0051 0.0428 0.0428
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0077 0.081 0.0808
Loa Loa (eye worm) hypothetical protein 0.0067 0.066 0.1543
Schistosoma mansoni alpha-glucosidase 0.0169 0.2172 0.2172
Schistosoma mansoni histone deacetylase hda2 0.0274 0.3719 0.3719
Echinococcus granulosus histone deacetylase 3 0.0269 0.365 0.3649
Brugia malayi Histone deacetylase 1 0.0269 0.365 0.8536
Schistosoma mansoni cytochrome P450 0.0026 0.005 0.005
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4276 0.8672
Loa Loa (eye worm) hypothetical protein 0.0048 0.0386 0.0902
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.062 0.0618
Echinococcus multilocularis histone deacetylase 3 0.0269 0.365 0.3649
Trypanosoma cruzi histone deacetylase, putative 0.0274 0.3719 0.8857
Echinococcus multilocularis microtubule associated protein 2 0.07 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0428 0.0426
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2856 0.5561
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Echinococcus multilocularis histone deacetylase 0.0274 0.3719 0.3718
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0428 0.0426
Trypanosoma brucei histone deacetylase, putative 0.0274 0.3719 0.8857
Echinococcus granulosus GPCR family 2 0.0051 0.0428 0.0426
Schistosoma mansoni hypothetical protein 0.0026 0.005 0.005
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2577 0.2575
Brugia malayi MH2 domain containing protein 0.0144 0.1801 0.4208
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.1271 0.5631
Trypanosoma cruzi histone deacetylase, putative 0.0274 0.3719 0.8857
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0428 0.0998
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0321 0.075
Loa Loa (eye worm) hypothetical protein 0.0022 0.0002 0.0005
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2693 0.5204
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.2062 0.4819
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0764 0.0762
Onchocerca volvulus 0.0049 0.0394 0.0911
Trichomonas vaginalis histone deacetylase, putative 0.0269 0.365 0.7301
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0488 0.0486
Echinococcus multilocularis muscleblind protein 0.018 0.2335 0.2334
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0386 0.0383
Echinococcus multilocularis muscleblind protein 1 0.018 0.2335 0.2334
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0115 0.0115
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3547 0.3547
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0394 0.0918
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.003 0.003
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0269 0.365 0.7301
Trypanosoma brucei histone deacetylase 1 0.0269 0.365 0.8692
Loa Loa (eye worm) hypothetical protein 0.0028 0.0086 0.0201
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4276 0.8672
Loa Loa (eye worm) CYP4Cod1 0.0044 0.0321 0.075
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.1449 0.6454
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0317 0.0315
Brugia malayi Histone deacetylase family protein 0.0274 0.3719 0.8696
Plasmodium vivax histone deacetylase 1, putative 0.0269 0.365 0.8576
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1801 0.4211
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0373 0.078
Leishmania major hypothetical protein, conserved 0.0028 0.0086 0.0086
Brugia malayi TAR-binding protein 0.0262 0.3547 0.8294
Leishmania major histone deacetylase, putative 0.0274 0.3719 0.8857
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0488 0.1141
Brugia malayi PHD-finger family protein 0.0027 0.0068 0.0154
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.0624 0.1459
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4276 0.8672
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0764 0.0762
Echinococcus multilocularis histone deacetylase 8 0.0123 0.1492 0.149
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4883 1
Plasmodium vivax histone deacetylase, putative 0.0274 0.3719 0.8741
Echinococcus multilocularis geminin 0.0189 0.2467 0.2465
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.2062 0.4821
Echinococcus multilocularis histone deacetylase 6 0.0274 0.3719 0.3718
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0317 0.0644
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0317 0.0737
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0317 0.0741
Echinococcus granulosus histone deacetylase 8 0.0123 0.1492 0.149
Toxoplasma gondii thioredoxin reductase 0.0047 0.0373 0.077
Brugia malayi Histone deacetylase family protein 0.0274 0.3719 0.8696
Loa Loa (eye worm) hypothetical protein 0.0076 0.0795 0.1859
Brugia malayi hypothetical protein 0.0074 0.0764 0.1782
Echinococcus granulosus survival motor neuron protein 1 0.024 0.3211 0.321
Schistosoma mansoni hypothetical protein 0.0049 0.0394 0.0394
Entamoeba histolytica hypothetical protein 0.0074 0.0764 0.0978
Loa Loa (eye worm) histone deacetylase 11 0.031 0.4242 0.992
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0488 0.0488
Plasmodium falciparum histone deacetylase, putative 0.0274 0.3719 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0269 0.365 0.8692
Plasmodium falciparum glutathione reductase 0.0047 0.0373 0.0791
Brugia malayi cytochrome P450 0.0026 0.005 0.0113
Loa Loa (eye worm) hypothetical protein 0.0151 0.19 0.4443

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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