Detailed information for compound 1242491

Basic information

Technical information
  • TDR Targets ID: 1242491
  • Name: N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxospiro[1, 3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
  • MW: 346.404 | Formula: C16H18N4O3S
  • H donors: 1 H acceptors: 3 LogP: 1.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1c2ccc(cc2C2(C1=O)SC(=NN2C(=O)C)NC(=O)C)C
  • InChi: 1S/C16H18N4O3S/c1-5-19-13-7-6-9(2)8-12(13)16(14(19)23)20(11(4)22)18-15(24-16)17-10(3)21/h6-8H,5H2,1-4H3,(H,17,18,21)
  • InChiKey: FRUPUHPNRLDSNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxo-spiro[1,3,4-thiadiazole-5,3'-indoline]-2-yl)acetamide
  • N-(4-acetyl-1'-ethyl-5'-methyl-2'-oxo-2-spiro[1,3,4-thiadiazole-5,3'-indoline]yl)acetamide
  • N-(4-acetyl-1'-ethyl-2'-keto-5'-methyl-spiro[1,3,4-thiadiazole-5,3'-indoline]-2-yl)acetamide
  • N-(4-ethanoyl-1'-ethyl-5'-methyl-2'-oxo-spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)ethanamide
  • BAS 07100825
  • STOCK4S-28386
  • MLS000550817
  • SMR000178498

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
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 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0034 0.0281 0.068
Schistosoma mansoni hypothetical protein 0.0166 0.1961 0.1961
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0281 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0371 0.0637
Loa Loa (eye worm) beta-lactamase 0.0041 0.0371 0.093
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0202 0.0462
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0309 0.378 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0139 0.0122
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Brugia malayi jmjC domain containing protein 0.0126 0.1451 0.3868
Loa Loa (eye worm) hypothetical protein 0.0082 0.0902 0.2398
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0299 0.3652 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0556 0.054
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0281 0.0281
Entamoeba histolytica DNA repair and recombination protein, putative 0.0309 0.378 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0034 0.0281 0.0264
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.0556
Onchocerca volvulus 0.0041 0.0371 0.0478
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0556 0.054
Brugia malayi Inositol-1 0.0044 0.0416 0.0985
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0902 0.0902
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 0.378 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.0556
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0034 0.0281 0.0264
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0281 0.0264
Toxoplasma gondii ABC1 family protein 0.0041 0.0371 0.2604
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.0902 0.2095
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0281 0.0389
Loa Loa (eye worm) hypothetical protein 0.0034 0.0281 0.068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0556 0.054
Loa Loa (eye worm) hypothetical protein 0.003 0.0242 0.0572
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.0416 0.11
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0416 0.076
Entamoeba histolytica hypothetical protein, conserved 0.0309 0.378 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0139 0.0289
Schistosoma mansoni inositol monophosphatase 0.0044 0.0416 0.0416
Brugia malayi beta-lactamase family protein 0.0041 0.0371 0.086
Onchocerca volvulus 0.0271 0.3289 1
Brugia malayi MH2 domain containing protein 0.0135 0.1565 0.4187
Brugia malayi hypothetical protein 0.0119 0.1371 0.3646
Brugia malayi beta-lactamase 0.0041 0.0371 0.086
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0042 0.0025
Brugia malayi jmjC domain containing protein 0.0126 0.1451 0.3868
Giardia lamblia Rrm3p helicase 0.0309 0.378 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0225 0.0525
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0077 0.0077
Schistosoma mansoni intermediate filament proteins 0.003 0.0242 0.0242
Echinococcus multilocularis neuropeptide s receptor 0.0555 0.6896 0.689
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0309 0.378 0.3769
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0281 0.068
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Echinococcus granulosus lamin dm0 0.003 0.0242 0.0225
Onchocerca volvulus 0.0271 0.3289 1
Schistosoma mansoni hypothetical protein 0.0041 0.0371 0.0371
Schistosoma mansoni lamin 0.003 0.0242 0.0242
Schistosoma mansoni jumonji domain containing protein 0.0126 0.1451 0.1451
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0242 0.05
Leishmania major hypothetical protein, conserved 0.0041 0.0371 0.0637
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0281 0.0264
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.002
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Echinococcus multilocularis lamin dm0 0.003 0.0242 0.0225
Brugia malayi intermediate filament protein 0.003 0.0242 0.05
Brugia malayi Pre-SET motif family protein 0.0029 0.0225 0.0452
Echinococcus granulosus neuropeptide s receptor 0.0555 0.6896 0.689
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0281 0.0389
Onchocerca volvulus 0.0041 0.0371 0.0478
Leishmania major hypothetical protein, conserved 0.0034 0.0281 0.0389
Loa Loa (eye worm) intermediate filament protein 0.003 0.0242 0.0572
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0139 0.0214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0126 0.1451 0.1436
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0281 0.1971
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0416 0.076
Brugia malayi Pre-SET motif family protein 0.0203 0.243 0.6596
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0281 0.0281
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2786 0.7269
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0371 0.005
Schistosoma mansoni hypothetical protein 0.0166 0.1961 0.1961
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Loa Loa (eye worm) RecQ helicase 0.0022 0.0139 0.0289
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0216 0.1518
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0416 0.076
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0281 0.0281
Onchocerca volvulus 0.0231 0.2786 0.8358
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.3406 0.9319
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0216 0.5448
Loa Loa (eye worm) hypothetical protein 0.0119 0.1371 0.3694
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0242 0.0572
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.1425 0.141
Mycobacterium tuberculosis Conserved protein 0.0041 0.0371 0.005
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0139 0.0122
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0299 0.3652 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0748 0.0748
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus multilocularis geminin 0.0166 0.1961 0.1947
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0309 0.378 0.3769
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0371 0.0371
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0748 0.14
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 0.378 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.0552
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0271 0.3289 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0225 0.6055
Onchocerca volvulus Huntingtin homolog 0.0119 0.1371 0.3741
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Brugia malayi follicle stimulating hormone receptor 0.028 0.3406 0.9314
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Trichomonas vaginalis conserved hypothetical protein 0.0309 0.378 1
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0281 0.0264
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0216 0.0212
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0042 0.0025
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0281 0.0281
Mycobacterium tuberculosis Conserved protein 0.0041 0.0371 0.005
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
Echinococcus granulosus neuropeptide receptor A26 0.0555 0.6896 0.689
Schistosoma mansoni DNA helicase recq1 0.0022 0.0139 0.0139
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0371 0.0354
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0371 0.093
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0556 0.1442
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0902 0.0902
Onchocerca volvulus Huntingtin homolog 0.0119 0.1371 0.3741
Echinococcus multilocularis microtubule associated protein 2 0.0799 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.1451 0.1451
Echinococcus granulosus lysine specific demethylase 5A 0.0126 0.1451 0.1436
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.1565 0.4231
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 0.378 1
Leishmania major hypothetical protein, conserved 0.0028 0.0216 0.0212
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0371 0.0637
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0416 0.076
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0309 0.378 1
Echinococcus granulosus phd:f box containing protein 0.0034 0.0281 0.0264
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0556 0.054
Loa Loa (eye worm) hypothetical protein 0.0119 0.1371 0.3694
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0216 0.0212
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0371 0.005
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0748 0.0732
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Onchocerca volvulus 0.0271 0.3289 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0225 0.0208
Onchocerca volvulus 0.003 0.0242 0.0055
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0271 0.3289 0.3289
Brugia malayi hypothetical protein 0.0028 0.0216 0.0429
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0977
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 0.378 1
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0139 0.0122
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0416 0.076
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0062 0.0076
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.248 0.6431
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0416 0.076
Brugia malayi hypothetical protein 0.0109 0.1242 0.3285
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0748 0.1672
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0371 0.005
Brugia malayi Melibiase family protein 0.0082 0.0902 0.2339
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0281 0.068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0371 0.0371
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0139 0.0122
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0216 0.5831
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0748 0.1292
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0225 0.1576
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0225 0.0225
Onchocerca volvulus 0.0041 0.0371 0.0478
Brugia malayi hypothetical protein 0.0041 0.0371 0.0859
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0371 0.0637
Toxoplasma gondii melibiase subfamily protein 0.0124 0.1425 1
Echinococcus granulosus translocator protein 0.0271 0.3289 0.3277
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus granulosus lamin 0.003 0.0242 0.0225
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.243 0.6622
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0748 0.1292
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0281 0.0264
Brugia malayi beta-lactamase family protein 0.0041 0.0371 0.086
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0281 0.0281
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.0416 0.5
Mycobacterium leprae Probable lipase LipE 0.0041 0.0371 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0371 0.005
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0139 0.0122
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0281 0.0264
Entamoeba histolytica recQ family helicase, putative 0.0022 0.0139 0.0368
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0225 0.0208
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
Echinococcus multilocularis lysine specific demethylase 5A 0.0126 0.1451 0.1436
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0371 0.0371
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0281 0.068
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0281 0.0264
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0748 0.0732
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0371 0.005
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0211 0.0194
Echinococcus granulosus bloom syndrome protein 0.0022 0.0139 0.0122
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0371 0.0637
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.0416 0.0399
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0309 0.378 1
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.1565 0.4231
Loa Loa (eye worm) inositol-1 0.0044 0.0416 0.1054
Loa Loa (eye worm) hypothetical protein 0.0034 0.0281 0.068
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0416 0.0399
Echinococcus granulosus geminin 0.0166 0.1961 0.1947
Echinococcus multilocularis lamin 0.003 0.0242 0.0225
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0371 0.0354
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0216 0.5448
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0371 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.315 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0416 0.2918
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0416 0.0153
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.248 0.6431
Schistosoma mansoni hypothetical protein 0.0013 0.0017 0.0017
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0748 0.1292
Mycobacterium tuberculosis Conserved protein 0.0041 0.0371 0.005
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0225 0.0208
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0126 0.1451 0.1436
Schistosoma mansoni microtubule-associated protein tau 0.0799 1 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.1425 0.141
Loa Loa (eye worm) hypothetical protein 0.0022 0.0139 0.0289
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Brugia malayi TspO/MBR family protein 0.0271 0.3289 0.8988
Loa Loa (eye worm) hypothetical protein 0.0028 0.0216 0.0502
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0214
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.1425 0.141
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0416 0.076
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Schistosoma mansoni inositol monophosphatase 0.0044 0.0416 0.0416
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0371 0.0354
Trichomonas vaginalis esterase, putative 0.0041 0.0371 0.0637
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0281 0.1971
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.0556
Brugia malayi hypothetical protein 0.0018 0.0088 0.0073
Toxoplasma gondii Alpha-galactosidase 0.0018 0.0077 0.0544
Schistosoma mansoni hypothetical protein 0.0309 0.378 0.378
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Schistosoma mansoni lamin 0.003 0.0242 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0371 0.0637
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0216 0.0212
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0748 0.525
Brugia malayi Cytochrome P450 family protein 0.0027 0.0202 0.0389
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0977
Onchocerca volvulus 0.0271 0.3289 1
Schistosoma mansoni DNA helicase recq5 0.0022 0.0139 0.0139
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0371 0.0637
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0371 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0281 0.0389
Plasmodium vivax JmjC domain containing protein 0.0034 0.0281 0.7569
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0371 0.0637
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0281 0.0264
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0371 0.0637
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0371 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0748 0.0748
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0371 0.0354
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.1451 0.1451
Echinococcus multilocularis musashi 0.003 0.0242 0.0225
Echinococcus multilocularis translocator protein 0.0271 0.3289 0.3277
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0371 0.005
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0371 0.086
Echinococcus multilocularis neuropeptide receptor A26 0.0555 0.6896 0.689
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0214
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0556 0.1376
Onchocerca volvulus Glucosylceramidase homolog 0.0196 0.2346 0.6925
Echinococcus granulosus intermediate filament protein 0.003 0.0242 0.0225
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.9933 0.9933
Loa Loa (eye worm) jmjC domain-containing protein 0.0126 0.1451 0.3915
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Onchocerca volvulus 0.003 0.0242 0.0055

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 31.6227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 6.3096 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 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) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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