Detailed information for compound 1019789

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.55 | Formula: C22H31NO6S
  • H donors: 2 H acceptors: 3 LogP: 2.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1SC[C@H](N1)[C@@]1(O)C[C@H]2C[C@H](O1)CC[C@H](C)/C=C\C1C(CC/C(=C\C(=O)O2)/C)O1
  • InChi: 1S/C22H31NO6S/c1-13-3-6-15-10-16(11-22(26,29-15)19-12-30-21(25)23-19)27-20(24)9-14(2)5-8-18-17(28-18)7-4-13/h4,7,9,13,15-19,26H,3,5-6,8,10-12H2,1-2H3,(H,23,25)/b7-4-,14-9-/t13-,15+,16+,17?,18?,19-,22+/m0/s1
  • InChiKey: MSHYYZSYRGWFES-BYVYSLSLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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) hypothetical protein 0.0034 0.0196 0.0308
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1336 0.2095
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.074 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0079 0.074 0.0811
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0151 0.16 0.2508
Echinococcus granulosus microtubule associated protein 2 0.0783 0.9122 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0249 0.0273
Trichomonas vaginalis glucosylceramidase, putative 0.0552 0.6376 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.0148 0.023
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0034 0.0196 0.0196
Schistosoma mansoni ferritin light chain 0.0045 0.0338 0.0371
Trichomonas vaginalis glucosylceramidase, putative 0.0552 0.6376 1
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0196 0.0215
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0346 0.0541
Brugia malayi hypothetical protein 0.0038 0.0249 0.0391
Echinococcus multilocularis muscleblind protein 1 0.0157 0.1662 0.1662
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0387 0.0424
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0227 0.2501 0.2501
Plasmodium falciparum thioredoxin reductase 0.005 0.0387 0.4819
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0962 0.1054
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.2548 0.3996
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0136 0.0214
Plasmodium vivax glutathione reductase, putative 0.005 0.0387 0.4819
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0148 0.023
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.1294 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0001 0.0001
Brugia malayi jmjC domain containing protein 0.0034 0.0196 0.0308
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0143 0.177
Loa Loa (eye worm) hypothetical protein 0.0028 0.013 0.0204
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0045 0.0338 0.1697
Echinococcus granulosus lysosomal alpha glucosidase 0.0357 0.4048 0.4438
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0079 0.074 0.1159
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0157 0.1665 0.1665
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.074 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0196 0.0308
Echinococcus multilocularis neutral alpha glucosidase AB 0.0079 0.074 0.074
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.0456 0.2716
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.0456 0.3515
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0802 0.3203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0962 0.1054
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0249 0.0249
Echinococcus multilocularis microtubule associated protein 2 0.0783 0.9122 0.9122
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.074 0.1159
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0148 0.023
Mycobacterium ulcerans bacterioferritin BfrA 0.0045 0.0338 0.4209
Echinococcus multilocularis lysine specific demethylase 5A 0.0126 0.1295 0.1295
Toxoplasma gondii hypothetical protein 0.0029 0.0143 0.0567
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.074 0.1159
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0227 0.2501 0.2742
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0346 0.4306
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Echinococcus multilocularis musashi 0.0029 0.0136 0.0136
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.074 0.1159
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Onchocerca volvulus Huntingtin homolog 0.0272 0.3032 0.728
Toxoplasma gondii melibiase subfamily protein 0.0227 0.2501 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0387 0.2985
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.1294 1
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0196 0.0215
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0034 0.0196 0.0215
Echinococcus multilocularis tumor protein p63 0.0366 0.4153 0.4153
Brugia malayi jmjC domain containing protein 0.0126 0.1295 0.2031
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0227 0.2501 0.2501
Trichomonas vaginalis maltase-glucoamylase, putative 0.003 0.0148 0.023
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.0456 0.05
Brugia malayi Probable ClpP-like protease 0.0084 0.0802 0.1258
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0196 0.078
Toxoplasma gondii thioredoxin reductase 0.005 0.0387 0.1544
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0196 0.2638
Brugia malayi glutathione reductase 0.005 0.0387 0.0607
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Schistosoma mansoni ferritin 0.0045 0.0338 0.0371
Schistosoma mansoni ferritin light chain 0.0045 0.0338 0.0371
Onchocerca volvulus Glucosylceramidase homolog 0.0363 0.4113 1
Schistosoma mansoni microtubule-associated protein tau 0.0783 0.9122 1
Echinococcus granulosus ferritin 0.0045 0.0338 0.0371
Echinococcus multilocularis lamin dm0 0.0029 0.0136 0.0136
Brugia malayi Thioredoxin reductase 0.005 0.0387 0.0607
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0196 0.0196
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.1144 0.8694
Schistosoma mansoni apoferritin-2 0.0045 0.0338 0.0371
Loa Loa (eye worm) hypothetical protein 0.0157 0.1662 0.2607
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Trichomonas vaginalis glucosylceramidase, putative 0.0382 0.4346 0.6816
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.03 0.3735
Echinococcus granulosus expressed protein 0.0045 0.0338 0.0371
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0045 0.0338 0.2607
Loa Loa (eye worm) hypothetical protein 0.0054 0.0439 0.0689
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0126 0.1295 0.1295
Trichomonas vaginalis glucosylceramidase, putative 0.0552 0.6376 1
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0387 0.5224
Schistosoma mansoni ferritin 0.0045 0.0338 0.0371
Brugia malayi jmjC domain containing protein 0.0034 0.0196 0.0308
Echinococcus multilocularis ferritin 0.0045 0.0338 0.0338
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.1294 1
Trichomonas vaginalis glucosylceramidase, putative 0.0382 0.4346 0.6816
Echinococcus multilocularis lysosomal alpha glucosidase 0.0357 0.4048 0.4048
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0387 0.4819
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0001 0.0002
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0439 0.0689
Trypanosoma brucei glycosyl hydrolase-like protein 0.003 0.0148 0.1986
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0579 0.722
Mycobacterium ulcerans bacterioferritin BfrB 0.0045 0.0338 0.4209
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0227 0.2501 0.2742
Leishmania major trypanothione reductase 0.005 0.0387 0.5224
Leishmania major alpha glucosidase II subunit, putative 0.0079 0.074 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0196 0.078
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0148 0.023
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0227 0.2501 0.2742
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.0802 0.0879
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0962 0.0962
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1336 0.2095
Echinococcus granulosus tumor protein p63 0.0366 0.4153 0.4553
Loa Loa (eye worm) glutathione reductase 0.005 0.0387 0.0607
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0346 0.0541
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.0148 0.023
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.003 0.0148 0.1986
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.0456 0.0456
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0346 0.0379
Echinococcus granulosus muscleblind protein 0.0157 0.1662 0.1822
Plasmodium falciparum glutathione reductase 0.005 0.0387 0.4819
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0227 0.2501 0.2742
Onchocerca volvulus Huntingtin homolog 0.0272 0.3032 0.728
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.03 0.2573
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0196 0.2434
Trichomonas vaginalis sucrase-isomaltase, putative 0.0079 0.074 0.1159
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0346 0.1379
Loa Loa (eye worm) hypothetical protein 0.0272 0.3032 0.4755
Toxoplasma gondii Alpha-galactosidase 0.0032 0.0179 0.0713
Loa Loa (eye worm) hypothetical protein 0.0037 0.0236 0.037
Treponema pallidum bacterioferrin (TpF1) 0.0045 0.0338 0.4209
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.0802 0.0802
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.0802 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0107 0.0168
Brugia malayi acetyltransferase, GNAT family protein 0.0157 0.1665 0.2612
Brugia malayi jmjC domain containing protein 0.0034 0.0196 0.0308
Schistosoma mansoni apoferritin-2 0.0045 0.0338 0.0371
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0579 0.2313
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Trichomonas vaginalis glucosylceramidase, putative 0.0552 0.6376 1
Schistosoma mansoni intermediate filament proteins 0.0029 0.0136 0.015
Loa Loa (eye worm) hypothetical protein 0.0157 0.1662 0.2607
Plasmodium vivax JmjC domain containing protein 0.0034 0.0196 0.2434
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0196 0.2638
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0151 0.16 0.1754
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0962 0.1509
Brugia malayi Melibiase family protein 0.0151 0.16 0.251
Leishmania major glycosyl hydrolase-like protein 0.003 0.0148 0.1986
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0346 0.1379
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0196 0.0196
Echinococcus multilocularis lysosomal alpha glucosidase 0.0357 0.4048 0.4048
Loa Loa (eye worm) hypothetical protein 0.0151 0.16 0.251
Leishmania major hypothetical protein, conserved 0.0034 0.0196 0.2638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0579 0.7826
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0196 0.0308
Echinococcus granulosus phd:f box containing protein 0.0034 0.0196 0.0215
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0196 0.0196
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0196 0.2638
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0157 0.1665 0.1826
Loa Loa (eye worm) acetyltransferase 0.0157 0.1665 0.2612
Schistosoma mansoni jumonji domain containing protein 0.0126 0.1295 0.142
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0552 0.6376 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0802 0.3203
Schistosoma mansoni alpha-glucosidase 0.0307 0.3456 0.3789
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0045 0.0338 0.2607
Brugia malayi MH2 domain containing protein 0.0129 0.1336 0.2095
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0143 0.177
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0079 0.074 1
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0148 0.023
Loa Loa (eye worm) hypothetical protein 0.003 0.0148 0.0232
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.1144 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0962 0.1054
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.074 0.1159
Onchocerca volvulus 0.0054 0.0434 0.0749
Echinococcus granulosus intermediate filament protein 0.0029 0.0136 0.015
Entamoeba histolytica hypothetical protein 0.0038 0.0249 0.1711
Schistosoma mansoni lamin 0.0029 0.0136 0.015
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0136 0.0214
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0196 0.0196
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0045 0.0338 0.4209
Brugia malayi hypothetical protein 0.0272 0.3032 0.4755
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0439 0.0689
Brugia malayi intermediate filament protein 0.0029 0.0136 0.0214
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0079 0.074 0.1159
Trichomonas vaginalis glucosylceramidase, putative 0.0552 0.6376 1
Schistosoma mansoni hypothetical protein 0.0037 0.0236 0.0259
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Trichomonas vaginalis ferritin, putative 0.0045 0.0338 0.0529
Mycobacterium tuberculosis Probable reductase 0.0113 0.1144 0.8837
Entamoeba histolytica hypothetical protein 0.0038 0.0249 0.1711
Entamoeba histolytica hypothetical protein 0.0038 0.0249 0.1711
Brugia malayi Glycosyl hydrolases family 31 protein 0.003 0.0148 0.0232
Brugia malayi follicle stimulating hormone receptor 0.0231 0.2548 0.3996
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0357 0.4048 0.635
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0249 0.0273
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0962 0.0962
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0196 0.0215
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0196 0.0215
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0434 0.0476
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0579 0.722
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.0456 0.3515
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0387 0.0387
Echinococcus multilocularis expressed protein 0.0045 0.0338 0.0338
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0196 0.0308
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0236 0.037
Brugia malayi jmjC domain containing protein 0.0126 0.1295 0.2031
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.1144 0.8837
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.0802 0.5725
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0962 0.1509
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0962 0.1054
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0136 0.0214
Echinococcus granulosus lamin 0.0029 0.0136 0.015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0962 0.1054
Trichomonas vaginalis alpha-glucosidase, putative 0.0079 0.074 0.1159
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0227 0.2501 0.2742
Entamoeba histolytica hypothetical protein 0.0038 0.0249 0.1711
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0126 0.1295 0.142
Trypanosoma brucei glucosidase, putative 0.0079 0.074 1
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0196 0.0215
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0579 0.722
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.03 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0143 0.177
Brugia malayi Glycosyl hydrolases family 31 protein 0.0079 0.074 0.1161
Schistosoma mansoni alpha-glucosidase 0.0307 0.3456 0.3789
Loa Loa (eye worm) hypothetical protein 0.0084 0.0802 0.1258
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0151 0.16 0.1754
Schistosoma mansoni ferritin 0.0045 0.0338 0.0371
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0579 0.0635
Brugia malayi Cytochrome P450 family protein 0.0026 0.0107 0.0168
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0196 0.0215
Trypanosoma brucei trypanothione reductase 0.005 0.0387 0.5224
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0038 0.0249 0.0273
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0196 0.0215
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0196 0.0308
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.1294 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0439 0.0689
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.003 0.0148 0.0029
Echinococcus multilocularis lamin 0.0029 0.0136 0.0136
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0579 0.0635
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0579 0.4472
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0552 0.6376 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0387 0.0607
Trichomonas vaginalis glucosylceramidase, putative 0.0552 0.6376 1
Echinococcus granulosus lysine specific demethylase 5A 0.0126 0.1295 0.142
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.0148 0.023
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.1613 0.1768
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0079 0.074 0.2955
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0032 0.0179 0.0197
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0079 0.074 1
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0196 0.0215
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.0802 0.0879
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.003 0.0148 0.1986
Brugia malayi Glycosyl hydrolases family 31 protein 0.0357 0.4048 0.635
Echinococcus granulosus lamin dm0 0.0029 0.0136 0.015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.1295 0.142
Loa Loa (eye worm) hypothetical protein 0.0054 0.0434 0.0681
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0079 0.074 0.1161
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.4113 0.6451
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0136 0.0214
Loa Loa (eye worm) jmjC domain-containing protein 0.0126 0.1295 0.2031
Echinococcus multilocularis muscleblind protein 0.0157 0.1662 0.1662
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.1144 0.8837
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0001 0.0001
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0802 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0196 0.0308
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0579 0.0579
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.1144 0.8837
Schistosoma mansoni ferritin 0.0045 0.0338 0.0371
Schistosoma mansoni alpha glucosidase 0.0079 0.074 0.0811
Brugia malayi Muscleblind-like protein 0.0157 0.1662 0.2607
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.1144 0.8837
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.1295 0.142
Schistosoma mansoni lamin 0.0029 0.0136 0.015
Loa Loa (eye worm) hypothetical protein 0.0272 0.3032 0.4755
Brugia malayi jmjC domain containing protein 0.0034 0.0196 0.0308
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0579 0.0635
Trichomonas vaginalis maltase-glucoamylase, putative 0.0079 0.074 0.1159
Onchocerca volvulus 0.0207 0.2256 0.5329

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.2 ug ml-1 Antiproliferative activity against human A549 cells ChEMBL. No reference
IC50 (functional) = 1.8 ug ml-1 Antiproliferative activity against mouse P388 cells ChEMBL. No reference
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida albicans ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Mus musculus ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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