Detailed information for compound 1317391

Basic information

Technical information
  • TDR Targets ID: 1317391
  • Name: 9-ethyl-3-[[4-(phenylmethylsulfonyl)piperazin -1-yl]methyl]carbazole; oxalic acid
  • MW: 537.627 | Formula: C28H31N3O6S
  • H donors: 2 H acceptors: 6 LogP: 1.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(=O)O.CCn1c2ccc(cc2c2c1cccc2)CN1CCN(CC1)S(=O)(=O)Cc1ccccc1
  • InChi: 1S/C26H29N3O2S.C2H2O4/c1-2-29-25-11-7-6-10-23(25)24-18-22(12-13-26(24)29)19-27-14-16-28(17-15-27)32(30,31)20-21-8-4-3-5-9-21;3-1(4)2(5)6/h3-13,18H,2,14-17,19-20H2,1H3;(H,3,4)(H,5,6)
  • InChiKey: KJWVHXZWJPQITQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-ethyl-3-[[4-(phenylmethylsulfonyl)-1-piperazinyl]methyl]carbazole; oxalic acid
  • 3-[[4-(benzylsulfonyl)piperazin-1-yl]methyl]-9-ethyl-carbazole; oxalic acid
  • ethanedioic acid; 9-ethyl-3-[[4-(phenylmethylsulfonyl)piperazin-1-yl]methyl]carbazole
  • 3-{[4-(benzylsulfonyl)-1-piperazinyl]methyl}-9-ethyl-9H-carbazole oxalate
  • MLS000573553
  • SMR000195342

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0048 0.0068 0.0068
Schistosoma mansoni glutaminase 0.0277 0.0713 0.1226
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0027 0.001 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0089 0.0079
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0058 0.0098 0.0246
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0193 0.0477 0.1312
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0954 0.2625 0.7349
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0164 0.0397 0.1087
Echinococcus granulosus GPCR family 2 0.0954 0.2625 0.7349
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 0.2911
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0164 0.0397 0.3057
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0954 0.2625 0.7349
Onchocerca volvulus 0.0037 0.0038 0.0028
Brugia malayi photoreceptor-specific nuclear receptor 0.0263 0.0676 0.0666
Toxoplasma gondii isocitrate dehydrogenase 0.0479 0.1283 1
Loa Loa (eye worm) glutaminase 0.0277 0.0713 0.0713
Onchocerca volvulus 0.005 0.0074 0.0064
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0164 0.0397 0.1988
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0048 0.0068 0.0283
Schistosoma mansoni Smad4 0.0089 0.0183 0.0302
Loa Loa (eye worm) hypothetical protein 0.0089 0.0183 0.0183
Onchocerca volvulus Fatty acid synthase homolog 0.0092 0.0194 0.0184
Mycobacterium ulcerans thioesterase TesA 0.0043 0.0054 0.0134
Schistosoma mansoni chromobox protein 0.0084 0.0171 0.028
Echinococcus granulosus mothers against decapentaplegic 2 0.0089 0.0183 0.0487
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.3016 0.844 0.8438
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 0.1988
Loa Loa (eye worm) hypothetical protein 0.0029 0.0014 0.0014
Onchocerca volvulus 0.0089 0.0185 0.0175
Schistosoma mansoni smad 0.0089 0.0183 0.0302
Plasmodium falciparum ataxin-2 like protein, putative 0.043 0.1145 0.8895
Schistosoma mansoni smad1 5 8 and 0.0198 0.0493 0.0841
Loa Loa (eye worm) hypothetical protein 0.2062 0.5748 0.5748
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0954 0.2625 0.7349
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0077 0.0149 0.0717
Brugia malayi glutaminase DH11.1 0.0277 0.0713 0.0704
Loa Loa (eye worm) hypothetical protein 0.0099 0.0212 0.0212
Loa Loa (eye worm) RNA binding protein 0.1289 0.3568 0.3568
Schistosoma mansoni isocitrate dehydrogenase 0.0058 0.0098 0.0152
Brugia malayi Steroid receptor seven-up type 2 0.0108 0.0239 0.0229
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.007 0.0131 0.0131
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0479 0.1283 0.3578
Brugia malayi Heterochromatin protein 1 0.0084 0.0171 0.0161
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Trichomonas vaginalis set domain proteins, putative 0.0286 0.074 1
Loa Loa (eye worm) hypothetical protein 0.3016 0.844 0.844
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0058 0.0098 0.037
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0033 0.0206
Echinococcus multilocularis chromobox protein 1 0.0084 0.0171 0.0452
Brugia malayi PHD-finger family protein 0.0035 0.0033 0.0023
Loa Loa (eye worm) TAR-binding protein 0.1289 0.3568 0.3568
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0054 0.0076
Schistosoma mansoni hypothetical protein 0.0035 0.0033 0.004
Echinococcus granulosus muscleblind protein 0.018 0.0442 0.1215
Echinococcus multilocularis mothers against decapentaplegic 5 0.0198 0.0493 0.1356
Echinococcus granulosus Smad4 0.0198 0.0493 0.1356
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0051 0.0078 0.0264
Loa Loa (eye worm) nuclear hormone receptor 0.0098 0.0209 0.0209
Loa Loa (eye worm) nuclear factor I 0.011 0.0243 0.0243
Schistosoma mansoni tar DNA-binding protein 0.1289 0.3568 0.6201
Schistosoma mansoni chromobox protein 0.0084 0.0171 0.028
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0042 0.0052 0.0193
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 0.1988
Loa Loa (eye worm) latrophilin receptor protein 2 0.0954 0.2625 0.2625
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0193 0.0477 0.1312
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0164 0.0397 0.3057
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0089 0.0223
Toxoplasma gondii type I fatty acid synthase, putative 0.0054 0.0087 0.063
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0054 0.0054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Mycobacterium ulcerans thioesterase 0.0043 0.0054 0.0134
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0171 0.0171
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0035 0.0071
Loa Loa (eye worm) Smad1 0.0198 0.0493 0.0493
Echinococcus granulosus peregrin 0.0035 0.0033 0.0064
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0054 0.0087 0.0313
Schistosoma mansoni tar DNA-binding protein 0.1289 0.3568 0.6201
Loa Loa (eye worm) hypothetical protein 0.357 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0442 0.0442
Echinococcus multilocularis Glycosyl transferase, family 8 0.007 0.0131 0.0341
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0052 0.008 0.0197
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0033 0.0027 0.0162
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0054 0.0087 0.0313
Echinococcus granulosus chromobox protein 1 0.0084 0.0171 0.0452
Echinococcus multilocularis GPCR, family 2 0.0954 0.2625 0.7349
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0051 0.0078 0.0334
Loa Loa (eye worm) hypothetical protein 0.0087 0.0179 0.0179
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0051 0.0078 0.0264
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0058 0.0098 0.0246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0035 0.0044
Loa Loa (eye worm) MH1 domain-containing protein 0.0089 0.0183 0.0183
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0954 0.2625 0.7349
Echinococcus multilocularis muscleblind protein 1 0.018 0.0442 0.1215
Toxoplasma gondii type I fatty acid synthase, putative 0.0036 0.0036 0.0233
Echinococcus granulosus mothers against decapentaplegic 6 0.0089 0.0183 0.0487
Echinococcus multilocularis conserved hypothetical protein 0.0052 0.008 0.0197
Schistosoma mansoni hypothetical protein 0.0193 0.0477 0.0814
Leishmania major hypothetical protein, conserved 0.043 0.1145 0.8835
Echinococcus multilocularis isocitrate dehydrogenase 0.0479 0.1283 0.3578
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0054 0.0123
Treponema pallidum fructose-bisphosphate aldolase 0.0149 0.0354 0.8597
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.005 0.0074 0.0311
Loa Loa (eye worm) hypothetical protein 0.0954 0.2625 0.2625
Schistosoma mansoni Smad4 0.0089 0.0183 0.0302
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0068 0.0125 0.0323
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0479 0.1283 0.3578
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0164 0.0397 0.1087
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0077 0.0067
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0479 0.1283 0.3578
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0058 0.0098 0.0246
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0108 0.0237 0.1189
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0054 0.0087 0.0382
Loa Loa (eye worm) hypothetical protein 0.0263 0.0676 0.0676
Loa Loa (eye worm) MH2 domain-containing protein 0.291 0.8139 0.8139
Onchocerca volvulus 0.0286 0.074 0.0731
Loa Loa (eye worm) hypothetical protein 0.0086 0.0176 0.0176
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0058 0.0098 0.0087
Toxoplasma gondii isocitrate dehydrogenase 0.0479 0.1283 1
Loa Loa (eye worm) transcription factor SMAD2 0.291 0.8139 0.8139
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1289 0.3568 0.3568
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0479 0.1283 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0074 0.0111
Mycobacterium tuberculosis Probable thioesterase TesA 0.0043 0.0054 0.0205
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0097 0.0207 0.0197
Brugia malayi MH1 domain containing protein 0.011 0.0243 0.0233
Brugia malayi Isocitrate dehydrogenase 0.0479 0.1283 0.1274
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0068 0.0125 0.0323
Toxoplasma gondii hypothetical protein 0.0027 0.001 0.0028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Brugia malayi MH2 domain containing protein 0.0198 0.0493 0.0483
Loa Loa (eye worm) hypothetical protein 0.0087 0.0179 0.0179
Schistosoma mansoni tar DNA-binding protein 0.1289 0.3568 0.6201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0089 0.0138
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0259 0.0699
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0072 0.0173
Schistosoma mansoni Smad4 0.0198 0.0493 0.0841
Echinococcus multilocularis mothers against decapentaplegic 2 0.0089 0.0183 0.0487
Brugia malayi Probable isocitrate dehydrogenase 0.0058 0.0098 0.0087
Loa Loa (eye worm) glutaminase 2 0.0277 0.0713 0.0713
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0089 0.0183 0.0173
Brugia malayi MH2 domain containing protein 0.0089 0.0183 0.0173
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0479 0.1283 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0033 0.0206
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0051 0.0078 0.0334
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0192 0.0317
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0067 0.0545
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0058 0.0098 0.0152
Brugia malayi Latrophilin receptor protein 2 0.0954 0.2625 0.2617
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0198 0.0493 0.1356
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0041 0.005 0.0112
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0054 0.0087 0.0382
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.069 0.1879 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0052 0.008 0.0197
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0139 0.0139
Brugia malayi MH2 domain containing protein 0.0198 0.0493 0.0483
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0642 0.0642
Loa Loa (eye worm) hypothetical protein 0.0027 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.011 0.0243 0.0243
Loa Loa (eye worm) isocitrate dehydrogenase 0.0479 0.1283 0.1283
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0552 0.1489 0.1481
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0077 0.0687
Echinococcus granulosus TGF beta signal transducer SmadC 0.0198 0.0493 0.1356
Brugia malayi Pre-SET motif family protein 0.0251 0.0642 0.0633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0051 0.0078 0.0334
Loa Loa (eye worm) hypothetical protein 0.0036 0.0035 0.0035
Loa Loa (eye worm) MH1 domain-containing protein 0.0198 0.0493 0.0493
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0089 0.0223
Loa Loa (eye worm) pigment dispersing factor receptor c 0.3016 0.844 0.844
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0058 0.0098 0.0246
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0479 0.1283 0.2219
Loa Loa (eye worm) hypothetical protein 0.0035 0.0033 0.0033
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0067 0.0056
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0954 0.2625 0.2617
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0164 0.0397 0.2911
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0033 0.0064
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0051 0.0078 0.0068
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0058 0.0098 0.037
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0035 0.0071
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0068 0.0125 0.0323
Mycobacterium leprae Polyketide synthase Pks13 0.0077 0.0149 0.065
Schistosoma mansoni hypothetical protein 0.2062 0.5748 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.069 0.1879 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0108 0.0239 0.0643
Schistosoma mansoni tar DNA-binding protein 0.1289 0.3568 0.6201
Brugia malayi Calcitonin receptor-like protein seb-1 0.3016 0.844 0.8438
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0259 0.0699
Schistosoma mansoni peptidase Clp (S14 family) 0.0164 0.0397 0.0674
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0479 0.1283 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0051 0.0078 0.0264
Loa Loa (eye worm) MH2 domain-containing protein 0.0089 0.0183 0.0183
Onchocerca volvulus 0.0048 0.0068 0.0058
Echinococcus multilocularis tar DNA binding protein 0.1289 0.3568 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0067 0.0056
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.069 0.1879 1
Toxoplasma gondii LsmAD domain-containing protein 0.043 0.1145 0.8918
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0054 0.0087 0.0313
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0041 0.005 0.0112
Echinococcus granulosus peptidase Clp S14 family 0.0108 0.0237 0.0638
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0479 0.1283 1
Schistosoma mansoni smad 0.0198 0.0493 0.0841
Brugia malayi Bromodomain containing protein 0.0035 0.0033 0.0023
Echinococcus multilocularis Smad4 0.0198 0.0493 0.1356
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0089 0.0223
Schistosoma mansoni tar DNA-binding protein 0.1289 0.3568 0.6201
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0077 0.0149 0.0717
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0479 0.1283 1
Brugia malayi Probable isocitrate dehydrogenase 0.0058 0.0098 0.0087
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0198 0.0493 0.0841
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0054 0.0087 0.0382
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0035 0.0044
Brugia malayi MH1 domain containing protein 0.011 0.0243 0.0233
Mycobacterium ulcerans polyketide synthase 0.0051 0.0078 0.0264
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0077 0.0687
Echinococcus multilocularis mothers against decapentaplegic 6 0.0089 0.0183 0.0487
Mycobacterium ulcerans Type I modular polyketide synthase 0.0051 0.0078 0.0264
Schistosoma mansoni hypothetical protein 0.0954 0.2625 0.4557
Echinococcus multilocularis chromobox protein 1 0.0084 0.0171 0.0452
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0171 0.2008
Schistosoma mansoni eyes absent homolog 0.0087 0.0179 0.0294
Schistosoma mansoni hypothetical protein 0.0954 0.2625 0.4557
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0108 0.0237 0.1125
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0033 0.0064
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0058 0.0098 0.0439
Mycobacterium ulcerans Type I modular polyketide synthase 0.0051 0.0078 0.0264
Onchocerca volvulus Alhambra homolog 0.0035 0.0033 0.0023
Brugia malayi Muscleblind-like protein 0.018 0.0442 0.0433
Loa Loa (eye worm) DIX domain-containing protein 0.0027 0.001 0.001
Brugia malayi Probable ClpP-like protease 0.0164 0.0397 0.0387
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0057 0.0093 0.0347
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0479 0.1283 0.3578
Schistosoma mansoni hypothetical protein 0.0954 0.2625 0.4557
Toxoplasma gondii hypothetical protein 0.0057 0.0093 0.0679
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0035 0.0044
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 0.5
Brugia malayi jmjC domain containing protein 0.0043 0.0054 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0089 0.0138
Echinococcus granulosus smad 0.0198 0.0493 0.1356
Schistosoma mansoni smad1 5 8 and 0.0198 0.0493 0.0841
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0035 0.0225
Plasmodium falciparum ataxin-2 like protein, putative 0.043 0.1145 0.8895
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0037 0.0037 0.0116
Brugia malayi jmjC domain containing protein 0.0115 0.0259 0.0249
Loa Loa (eye worm) hypothetical protein 0.018 0.0442 0.0442
Mycobacterium ulcerans polyketide synthase Pks13 0.0077 0.0149 0.065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0089 0.0138
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0033 0.004
Brugia malayi isocitrate dehydrogenase 0.0479 0.1283 0.1274
Loa Loa (eye worm) hypothetical protein 0.006 0.0104 0.0104
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0149 0.0354 1
Mycobacterium ulcerans polyketide synthase 0.0054 0.0087 0.0313
Giardia lamblia Fructose-bisphosphate aldolase 0.0149 0.0354 1
Brugia malayi RNA recognition motif domain containing protein 0.1289 0.3568 0.3562
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0089 0.0223
Brugia malayi Pre-SET motif family protein 0.0036 0.0035 0.0025
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0058 0.0098 0.0087
Loa Loa (eye worm) hypothetical protein 0.0027 0.001 0.001
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0057 0.0093 0.0483
Mycobacterium tuberculosis Polyketide synthase Pks2 0.005 0.0074 0.0311
Echinococcus multilocularis peptidase Clp (S14 family) 0.0108 0.0237 0.0638
Mycobacterium ulcerans Type I modular polyketide synthase 0.0051 0.0078 0.0264
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0149 0.0354 1
Brugia malayi Glycosyl transferase family 8 protein 0.007 0.0131 0.0121
Brugia malayi RNA binding protein 0.1289 0.3568 0.3562
Loa Loa (eye worm) MH2 domain-containing protein 0.0198 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0164 0.0397 0.0397
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0054 0.0076
Brugia malayi TAR-binding protein 0.1289 0.3568 0.3562
Loa Loa (eye worm) hypothetical protein 0.0037 0.0038 0.0038
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0041 0.005 0.0112
Echinococcus multilocularis peregrin 0.0035 0.0033 0.0064
Brugia malayi hypothetical protein 0.043 0.1145 0.1136
Schistosoma mansoni hypothetical protein 0.0954 0.2625 0.4557
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0068 0.0125 0.0323
Brugia malayi Smad1 0.0198 0.0493 0.0483
Onchocerca volvulus 0.357 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0058 0.0098 0.0098
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0479 0.1283 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Schistosoma mansoni glycosyltransferase-related 0.007 0.0131 0.0211
Echinococcus granulosus chromobox protein 1 0.0084 0.0171 0.0452
Plasmodium vivax ataxin-2 like protein, putative 0.043 0.1145 0.8895
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0479 0.1283 0.6802
Brugia malayi hypothetical protein 0.0277 0.0716 0.0706
Plasmodium vivax SET domain protein, putative 0.0036 0.0035 0.0019
Echinococcus granulosus tar DNA binding protein 0.1289 0.3568 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0089 0.0089
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0058 0.0098 0.0087
Brugia malayi MH1 domain containing protein 0.0198 0.0493 0.0483
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0032 0.006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Schistosoma mansoni smad1 5 8 and 0.0198 0.0493 0.0841
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0058 0.0098 0.0979
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 1
Brugia malayi MH1 domain containing protein 0.0198 0.0493 0.0483
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0068 0.0058
Mycobacterium leprae Probable polyketide synthase Pks1 0.0054 0.0087 0.0313
Echinococcus multilocularis muscleblind protein 0.018 0.0442 0.1215
Trichomonas vaginalis glutaminase, putative 0.0277 0.0713 0.9623
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0054 0.0123
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0164 0.0397 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0089 0.0183 0.0173
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0479 0.1283 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0479 0.1283 0.3578
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0057 0.0093 0.0483
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0054 0.0087 0.0313
Loa Loa (eye worm) hypothetical protein 0.043 0.1145 0.1145
Brugia malayi N-terminal motif family protein 0.0552 0.1489 0.1481
Schistosoma mansoni unc-13 (munc13) 0.0058 0.0098 0.0152
Mycobacterium ulcerans glutaminase 0.0277 0.0713 0.3699
Echinococcus granulosus mothers against decapentaplegic 5 0.0198 0.0493 0.1356
Loa Loa (eye worm) hypothetical protein 0.0552 0.1489 0.1489
Brugia malayi latrophilin 2 splice variant baaae 0.2062 0.5748 0.5744
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0072 0.0173
Loa Loa (eye worm) fatty acid synthase 0.0051 0.0076 0.0076
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0033 0.0033
Echinococcus granulosus Glycosyl transferase family 8 0.007 0.0131 0.0341
Loa Loa (eye worm) hypothetical protein 0.0027 0.001 0.001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0108 0.0239 0.0643
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0108 0.0237 0.1189
Brugia malayi MH2 domain containing protein 0.291 0.8139 0.8137
Echinococcus multilocularis smad 0.0198 0.0493 0.1356
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0067 0.0545
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0171 0.2008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0354 0.4583
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0043 0.0054 0.0134
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0035 0.0071
Brugia malayi hypothetical protein 0.0087 0.0179 0.0169

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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 (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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