Detailed information for compound 1223694

Basic information

Technical information
  • TDR Targets ID: 1223694
  • Name: N-(4-acetyl-5'-methyl-2'-oxo-1'-propan-2-ylsp iro[1,3,4-thiadiazole-5,3'-indole]-2-yl)aceta mide
  • MW: 360.431 | Formula: C17H20N4O3S
  • H donors: 1 H acceptors: 3 LogP: 1.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC1=NN(C2(S1)c1cc(C)ccc1N(C2=O)C(C)C)C(=O)C
  • InChi: 1S/C17H20N4O3S/c1-9(2)20-14-7-6-10(3)8-13(14)17(15(20)24)21(12(5)23)19-16(25-17)18-11(4)22/h6-9H,1-5H3,(H,18,19,22)
  • InChiKey: RPSMSCGADZDPSE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetyl-1'-isopropyl-5'-methyl-2'-oxo-spiro[1,3,4-thiadiazole-5,3'-indoline]-2-yl)acetamide
  • N-(4-acetyl-1'-isopropyl-5'-methyl-2'-oxo-2-spiro[1,3,4-thiadiazole-5,3'-indoline]yl)acetamide
  • N-(4-acetyl-1'-isopropyl-2'-keto-5'-methyl-spiro[1,3,4-thiadiazole-5,3'-indoline]-2-yl)acetamide
  • N-(4-ethanoyl-5'-methyl-2'-oxo-1'-propan-2-yl-spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)ethanamide
  • MLS000560269
  • SMR000178499
  • BAS 07100827
  • STOCK4S-20599

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
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
Plasmodium vivax SET domain protein, putative 0.0029 0.0225 0.6055
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0271 0.3289 1
Echinococcus granulosus neuropeptide receptor A26 0.0555 0.6896 0.689
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 cytoplasmic intermediate filament protein 0.0015 0.0042 0.0025
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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Trichomonas vaginalis conserved hypothetical protein 0.0309 0.378 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Brugia malayi follicle stimulating hormone receptor 0.028 0.3406 0.9314
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Onchocerca volvulus Huntingtin homolog 0.0119 0.1371 0.3741
Echinococcus granulosus lysine specific demethylase 5A 0.0126 0.1451 0.1436
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.1451 0.1451
Echinococcus multilocularis microtubule associated protein 2 0.0799 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0902 0.0902
Onchocerca volvulus Huntingtin homolog 0.0119 0.1371 0.3741
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0556 0.1442
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
Schistosoma mansoni DNA helicase recq1 0.0022 0.0139 0.0139
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0371 0.005
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0748 0.0732
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0216 0.0212
Loa Loa (eye worm) hypothetical protein 0.0119 0.1371 0.3694
Echinococcus granulosus phd:f box containing protein 0.0034 0.0281 0.0264
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0309 0.378 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0416 0.076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0556 0.054
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0371 0.0637
Leishmania major hypothetical protein, conserved 0.0028 0.0216 0.0212
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 0.378 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.1565 0.4231
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2786 0.7269
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0281 0.0281
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0371 0.005
Schistosoma mansoni hypothetical protein 0.0166 0.1961 0.1961
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
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0126 0.1451 0.1436
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
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0281 0.0389
Onchocerca volvulus 0.0041 0.0371 0.0478
Echinococcus granulosus neuropeptide s receptor 0.0555 0.6896 0.689
Loa Loa (eye worm) hypothetical protein 0.0119 0.1371 0.3694
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0216 0.5448
Onchocerca volvulus 0.0231 0.2786 0.8358
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.3406 0.9319
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0281 0.0281
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0416 0.076
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0216 0.1518
Loa Loa (eye worm) RecQ helicase 0.0022 0.0139 0.0289
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Echinococcus multilocularis geminin 0.0166 0.1961 0.1947
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
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
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0139 0.0122
Mycobacterium tuberculosis Conserved protein 0.0041 0.0371 0.005
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
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.0552
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 0.378 1
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0748 0.14
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0371 0.0371
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0309 0.378 0.3769
Brugia malayi MH2 domain containing protein 0.0135 0.1565 0.4187
Onchocerca volvulus 0.0271 0.3289 1
Schistosoma mansoni inositol monophosphatase 0.0044 0.0416 0.0416
Brugia malayi beta-lactamase family protein 0.0041 0.0371 0.086
Entamoeba histolytica hypothetical protein, conserved 0.0309 0.378 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0139 0.0289
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0416 0.076
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.0416 0.11
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0309 0.378 0.3769
Echinococcus multilocularis neuropeptide s receptor 0.0555 0.6896 0.689
Schistosoma mansoni intermediate filament proteins 0.003 0.0242 0.0242
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0029 0.0225 0.0525
Giardia lamblia Rrm3p helicase 0.0309 0.378 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0042 0.0025
Brugia malayi beta-lactamase 0.0041 0.0371 0.086
Brugia malayi hypothetical protein 0.0119 0.1371 0.3646
Brugia malayi jmjC domain containing protein 0.0126 0.1451 0.3868
Leishmania major hypothetical protein, conserved 0.0041 0.0371 0.0637
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
Schistosoma mansoni hypothetical protein 0.0041 0.0371 0.0371
Schistosoma mansoni lamin 0.003 0.0242 0.0242
Onchocerca volvulus 0.0271 0.3289 1
Echinococcus granulosus lamin dm0 0.003 0.0242 0.0225
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
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
Brugia malayi Pre-SET motif family protein 0.0029 0.0225 0.0452
Brugia malayi intermediate filament protein 0.003 0.0242 0.05
Echinococcus multilocularis lamin dm0 0.003 0.0242 0.0225
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.002
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0281 0.0264
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
Loa Loa (eye worm) beta-lactamase 0.0041 0.0371 0.093
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0371 0.0637
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0281 1
Schistosoma mansoni hypothetical protein 0.0166 0.1961 0.1961
Loa Loa (eye worm) hypothetical protein 0.0034 0.0281 0.068
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0034 0.0281 0.0264
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 multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0556 0.054
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0299 0.3652 1
Brugia malayi jmjC domain containing protein 0.0126 0.1451 0.3868
Loa Loa (eye worm) hypothetical protein 0.0082 0.0902 0.2398
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0139 0.0122
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0281 0.0264
Toxoplasma gondii ABC1 family protein 0.0041 0.0371 0.2604
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0034 0.0281 0.0264
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
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0902 0.0902
Brugia malayi Inositol-1 0.0044 0.0416 0.0985
Onchocerca volvulus 0.0041 0.0371 0.0478
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0556 0.054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.003 0.0242 0.0572
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0556 0.054
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0281 0.0389
Loa Loa (eye worm) hypothetical protein 0.0034 0.0281 0.068
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.0902 0.2095
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0371 0.0637
Schistosoma mansoni DNA helicase recq5 0.0022 0.0139 0.0139
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0977
Onchocerca volvulus 0.0271 0.3289 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
Brugia malayi Cytochrome P450 family protein 0.0027 0.0202 0.0389
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0748 0.525
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0371 0.0637
Plasmodium vivax JmjC domain containing protein 0.0034 0.0281 0.7569
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0371 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0281 0.0389
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
Echinococcus multilocularis translocator protein 0.0271 0.3289 0.3277
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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.1451 0.1451
Echinococcus multilocularis musashi 0.003 0.0242 0.0225
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0371 0.0354
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0748 0.0748
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0371 0.0637
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0371 0.005
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0281 0.0264
Onchocerca volvulus 0.003 0.0242 0.0055
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.9933 0.9933
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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0214
Echinococcus multilocularis neuropeptide receptor A26 0.0555 0.6896 0.689
Brugia malayi TspO/MBR family protein 0.0271 0.3289 0.8988
Loa Loa (eye worm) hypothetical protein 0.0028 0.0216 0.0502
Entamoeba histolytica hypothetical protein 0.0041 0.0371 0.098
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.1425 0.141
Loa Loa (eye worm) hypothetical protein 0.0022 0.0139 0.0289
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 granulosus histone lysine methyltransferase setb 0.0029 0.0225 0.0208
Mycobacterium tuberculosis Conserved protein 0.0041 0.0371 0.005
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0748 0.1292
Schistosoma mansoni hypothetical protein 0.0013 0.0017 0.0017
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.248 0.6431
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.1425 0.141
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0214
Toxoplasma gondii Alpha-galactosidase 0.0018 0.0077 0.0544
Brugia malayi hypothetical protein 0.0018 0.0088 0.0073
Schistosoma mansoni hypothetical protein 0.0309 0.378 0.378
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.0556
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0281 0.1971
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
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
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0216 0.0212
Schistosoma mansoni lamin 0.003 0.0242 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0371 0.0637
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0225 0.0225
Echinococcus multilocularis lysine specific demethylase 5A 0.0126 0.1451 0.1436
Loa Loa (eye worm) hypothetical protein 0.0271 0.3289 0.8996
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
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0139 0.0122
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0371 0.005
Mycobacterium leprae Probable lipase LipE 0.0041 0.0371 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0371 0.0637
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
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0371 0.005
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0748 0.0732
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0281 0.0264
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
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0216 0.5448
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0371 0.0354
Echinococcus granulosus geminin 0.0166 0.1961 0.1947
Echinococcus multilocularis lamin 0.003 0.0242 0.0225
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0416 0.0399
Loa Loa (eye worm) hypothetical protein 0.0034 0.0281 0.068
Loa Loa (eye worm) inositol-1 0.0044 0.0416 0.1054
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
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.3652 0.9648
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0416 0.0153
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.315 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0371 0.093
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0416 0.2918
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0371 1
Brugia malayi jmjC domain containing protein 0.0034 0.0281 0.0609
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.248 0.6431
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0062 0.0076
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0416 0.076
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0139 0.0122
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0139 0.0977
Brugia malayi hypothetical protein 0.0028 0.0216 0.0429
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0271 0.3289 0.3289
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 0.378 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0225 0.0208
Onchocerca volvulus 0.003 0.0242 0.0055
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Onchocerca volvulus 0.0271 0.3289 1
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
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1425 0.1425
Brugia malayi Melibiase family protein 0.0082 0.0902 0.2339
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0748 0.1672
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0371 0.005
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
Brugia malayi hypothetical protein 0.0041 0.0371 0.0859
Onchocerca volvulus 0.0041 0.0371 0.0478
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
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0748 0.1292
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0216 0.5831
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0139 0.0122
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.0416 0.5
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.243 0.6622
Trichomonas vaginalis glucosylceramidase, putative 0.0196 0.2346 0.6062
Echinococcus granulosus lamin 0.003 0.0242 0.0225
Echinococcus granulosus translocator protein 0.0271 0.3289 0.3277
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0371 0.0637
Toxoplasma gondii melibiase subfamily protein 0.0124 0.1425 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) > 150 uM PUBCHEM_BIOASSAY: Bacterial Growth Inhibition Counterscreen using BacTiter-Glo Measured in Microorganism System Using Plate Reader - 2093-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938] ChEMBL. No reference
Potency (functional) 0.5221 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 18.526 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

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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