Detailed information for compound 1322732

Basic information

Technical information
  • TDR Targets ID: 1322732
  • Name: 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-et hyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorop henyl)acetamide
  • MW: 421.861 | Formula: C16H16ClN7O3S
  • H donors: 2 H acceptors: 6 LogP: 1.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nnc1c1nonc1NC(=O)C
  • InChi: 1S/C16H16ClN7O3S/c1-3-24-15(13-14(18-9(2)25)23-27-22-13)20-21-16(24)28-8-12(26)19-11-6-4-5-10(17)7-11/h4-7H,3,8H2,1-2H3,(H,19,26)(H,18,23,25)
  • InChiKey: QYDVLUKDOJIATM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide
  • 2-[[5-(4-acetamidofurazan-3-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide
  • 2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)ethanamide
  • D291-0027
  • NCGC00117816-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Echinococcus multilocularis Protein lozenge 0.0056 0.0062 0.0213
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0055 0.0233
Loa Loa (eye worm) hypothetical protein 0.0123 0.0171 0.0812
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Brugia malayi beta-lactamase family protein 0.0041 0.0037 0.0047
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0242 0.0363 0.17
Entamoeba histolytica protein kinase, putative 0.1316 0.2107 1
Brugia malayi hypothetical protein 0.0123 0.0171 0.0231
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.1316 0.2107 0.7767
Entamoeba histolytica hypothetical protein 0.0036 0.003 0.0114
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0021 0.0054
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.007 0.0238
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0722 0.1143 0.4324
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0094 0.0124 0.0436
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0496 0.0776 0.3664
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Giardia lamblia Kinase, CMGC GSK 0.1316 0.2107 0.7767
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.001 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0055 0.0233
Loa Loa (eye worm) hypothetical protein 0.0034 0.0027 0.0128
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0037 0.095
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0037 0.0148
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.001 0.1376
Loa Loa (eye worm) runx1 0.0056 0.0062 0.0294
Echinococcus granulosus protein kinase shaggy 0.1316 0.2107 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0094 0.0124 0.0561
Echinococcus multilocularis geminin 0.0191 0.0281 0.1047
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0037 0.0117
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0065 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0018 0.0068
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.0039 0.0049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0055 0.0233
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0039 0.0157
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.007 0.0306
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0037 0.0148
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0037 0.0115
Toxoplasma gondii ABC1 family protein 0.0041 0.0037 0.0115
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0021 0.0077
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0177
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0028 0.0106
Brugia malayi hypothetical protein 0.003 0.0021 0.0024
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.001 0.1376
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0037 0.0148
Entamoeba histolytica hypothetical protein 0.0036 0.003 0.0114
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0242 0.0363 0.17
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0094 0.0124 0.0436
Loa Loa (eye worm) beta-lactamase 0.0041 0.0037 0.0177
Onchocerca volvulus 0.0024 0.001 0.0004
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0094 0.0124 0.0561
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0021 0.0006 0.0022
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0701 0.1108 0.5246
Loa Loa (eye worm) hypothetical protein 0.0056 0.0062 0.0294
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.003 0.0114
Echinococcus multilocularis peregrin 0.0029 0.0018 0.0047
Brugia malayi AMP-binding enzyme family protein 0.0024 0.001 0.0009
Loa Loa (eye worm) phosphatidylinositol 3 0.0575 0.0903 0.4288
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.001 0.1165
Loa Loa (eye worm) hypothetical protein 0.0029 0.0018 0.0088
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0037 0.0137
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1689 0.2711 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0006 0.0029
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0053 0.025
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0006 0.0029
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0094 0.0124 0.0561
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0006 0.0022
Schistosoma mansoni hypothetical protein 0.0036 0.003 0.0114
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0722 0.1143 0.5411
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0006 0.0029
Schistosoma mansoni hypothetical protein 0.0034 0.0027 0.0099
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0164 0.078
Trypanosoma brucei protein kinase, putative 0.1316 0.2107 0.7767
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0242 0.0363 0.132
Brugia malayi AMP-binding enzyme family protein 0.0024 0.001 0.0009
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0039 0.0157
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0445 0.0693 0.3292
Brugia malayi beta-lactamase 0.0041 0.0037 0.0047
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.001 0.1376
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.007 0.0306
Entamoeba histolytica protein kinase domain containing protein 0.1316 0.2107 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0177
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0468 0.073 0.3446
Entamoeba histolytica hypothetical protein 0.0036 0.003 0.0114
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0039 0.0157
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0177
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0037 0.095
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0065 0.0281
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.0039 0.0125
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0094 0.0124 0.0436
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.001 0.1376
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0037 0.0177
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.001 0.0013
Onchocerca volvulus 0.1316 0.2107 0.2102
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.007 0.1794
Loa Loa (eye worm) phosphatidylinositol kinase 0.0021 0.0006 0.0029
Echinococcus multilocularis protein kinase shaggy 0.1316 0.2107 0.7991
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0032 0.0122
Brugia malayi PHD-finger family protein 0.0029 0.0018 0.0021
Brugia malayi Inositol-1 0.0037 0.0032 0.0039
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0094 0.0124 0.0436
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.001 0.0017
Loa Loa (eye worm) hypothetical protein 0.0123 0.0171 0.0812
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0028 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0053 0.0068
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0039 0.0122
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0021 0.0054
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0722 0.1143 0.4202
Loa Loa (eye worm) hypothetical protein 0.0024 0.001 0.0046
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0042 0.0039 0.0122
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0021 0.0077
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0126 0.0455
Loa Loa (eye worm) hypothetical protein 0.0021 0.0006 0.0029
Echinococcus multilocularis microtubule associated protein 2 0.0687 0.1086 0.411
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0037 0.0148
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0177
Echinococcus multilocularis tumor protein p63 0.0381 0.0589 0.222
Onchocerca volvulus Huntingtin homolog 0.0123 0.0171 0.0165
Loa Loa (eye worm) hypothetical protein 0.005 0.0053 0.025
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.007 0.0238
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0006 0.0154
Brugia malayi AMP-binding enzyme family protein 0.0024 0.001 0.0009
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0028 0.0135
Plasmodium vivax telomerase reverse transcriptase, putative 0.1689 0.2711 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0065 0.1662
Mycobacterium ulcerans hypothetical protein 0.0024 0.001 0.1376
Giardia lamblia Telomerase catalytic subunit 0.1689 0.2711 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0722 0.1143 0.5411
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0021 0.0077
Echinococcus granulosus microtubule associated protein 2 0.0687 0.1086 0.5143
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1316 0.2107 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0094 0.0124 0.0561
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.001 0.1376
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0094 0.0124 0.0166
Mycobacterium ulcerans hypothetical protein 0.0041 0.0037 0.5293
Echinococcus multilocularis Zinc finger, PHD finger 0.0094 0.0124 0.0449
Brugia malayi intracellular kinase 0.1316 0.2107 0.2898
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Giardia lamblia Kinase, CMGC GSK 0.1316 0.2107 0.7767
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.007 0.0245
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0037 0.095
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0032 0.0095
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0059 0.0279
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0018 0.0046
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.0177
Plasmodium falciparum glycogen synthase kinase 3 0.1316 0.2107 0.7772
Onchocerca volvulus 0.0041 0.0037 0.0031
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0722 0.1143 0.5411
Schistosoma mansoni hypothetical protein 0.0029 0.0018 0.0059
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0722 0.1143 0.157
Plasmodium falciparum telomerase reverse transcriptase 0.1689 0.2711 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0021 0.0054
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0169 0.0245 0.0884
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0032 0.0095
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0126 0.0569
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0025 0.0649
Loa Loa (eye worm) hypothetical protein 0.0042 0.0039 0.0185
Echinococcus granulosus tumor protein p63 0.0381 0.0589 0.2778
Entamoeba histolytica hypothetical protein 0.0575 0.0903 0.4272
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0037 0.095
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0094 0.0124 0.0588
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0094 0.0124 0.0436
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0018 0.0046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0053 0.0068
Brugia malayi hypothetical protein 0.0036 0.003 0.0037
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.1316 0.2107 0.7991
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0248
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0069 0.0326
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0348 0.0537 0.1962
Mycobacterium tuberculosis Conserved protein 0.0041 0.0037 0.095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0032 0.0095
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0242 0.0363 0.132
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0037 0.095
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.0039 0.0157
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0094 0.0124 0.0449
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0021 0.0006 0.0022
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.001 0.0017
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0032 0.0122
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0094 0.0124 0.0561
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0018 0.0059
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0065 0.0225
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0242 0.0363 0.17
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0037 0.0115
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.001 0.1165
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0039 0.0157
Brugia malayi jmjC domain containing protein 0.0035 0.0028 0.0035
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0575 0.0903 0.4272
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.0039 0.0122
Brugia malayi MH2 domain containing protein 0.0119 0.0164 0.0222
Echinococcus granulosus glycogen synthase kinase 3 beta 0.1316 0.2107 1
Entamoeba histolytica protein kinase domain containing protein 0.1316 0.2107 1
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0037 0.095
Schistosoma mansoni hypothetical protein 0.0191 0.0281 0.1311
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0018 0.0088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0055 0.0071
Plasmodium vivax glycogen synthase kinase 3, putative 0.1316 0.2107 0.7772
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0037 0.095
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0006 0.0029
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0094 0.0124 0.0561
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0006 0.0029
Loa Loa (eye worm) hypothetical protein 0.0468 0.073 0.3465
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1689 0.2711 1
Brugia malayi Bromodomain containing protein 0.0029 0.0018 0.0021
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0094 0.0124 0.0561
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.022 0.0328 0.1192
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Onchocerca volvulus 0.0056 0.0062 0.0056
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0032 0.0095
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0028 0.0085
Loa Loa (eye worm) hypothetical protein 0.0254 0.0384 0.1823
Loa Loa (eye worm) hypothetical protein 0.0024 0.001 0.0046
Trichomonas vaginalis CMGC family protein kinase 0.1316 0.2107 1
Brugia malayi beta-lactamase family protein 0.0041 0.0037 0.0047
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0032 0.0122
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0037 0.0148
Schistosoma mansoni hypothetical protein 0.0191 0.0281 0.1311
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0032 0.0122
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0242 0.0363 0.17
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0039 0.0125
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0496 0.0776 0.3664
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.001 0.1376
Trypanosoma brucei telomerase reverse transcriptase 0.1689 0.2711 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0065 0.9263
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0094 0.0124 0.0561
Onchocerca volvulus Alhambra homolog 0.0029 0.0018 0.0012
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0039 0.0157
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.001 0.0247
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0006 0.0022
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0006 0.0029
Loa Loa (eye worm) hypothetical protein 0.0445 0.0693 0.3292
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0032 0.4515
Trichomonas vaginalis esterase, putative 0.0041 0.0037 0.0148
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1642 0.2635 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0037 0.0147
Schistosoma mansoni inositol monophosphatase 0.0037 0.0032 0.0122
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0006 0.0029
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0039 0.0125
Mycobacterium ulcerans lipase LipD 0.0041 0.0037 0.5293
Loa Loa (eye worm) inositol-1 0.0037 0.0032 0.0151
Loa Loa (eye worm) hypothetical protein 0.0024 0.001 0.0046
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0094 0.0418
Loa Loa (eye worm) hypothetical protein 0.0021 0.0006 0.0029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.003 0.0091
Schistosoma mansoni lozenge 0.0056 0.0062 0.0266
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.032 0.0491 0.2307
Trichomonas vaginalis CMGC family protein kinase 0.1316 0.2107 1
Brugia malayi hypothetical protein 0.0445 0.0693 0.0951
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0065 0.0281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0055 0.0186
Leishmania major telomerase reverse transcriptase, putative 0.1689 0.2711 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0032 0.0122
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.0039 0.0157
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0468 0.073 0.2754
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.1316 0.2107 0.7767
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0722 0.1143 0.4202
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0094 0.0124 0.0457
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0242 0.0363 0.17
Leishmania major hypothetical protein, conserved 0.0041 0.0037 0.0115
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0025 0.6217
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0722 0.1143 0.5411
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0094 0.0124 0.0457
Mycobacterium ulcerans beta-lactamase 0.0041 0.0037 0.5293
Onchocerca volvulus 0.0041 0.0037 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0065 0.9263
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.007 1
Echinococcus granulosus peregrin 0.0029 0.0018 0.0059
Onchocerca volvulus 0.0041 0.0037 0.0031
Mycobacterium leprae Probable lipase LipE 0.0041 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0099
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0021 0.0006 0.0022
Brugia malayi jmjC domain containing protein 0.0095 0.0126 0.0169
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0039 0.0122
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0042 0.0039 0.0157
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0037 0.0047
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0259 0.0392 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0018 0.0059
Brugia malayi follicle stimulating hormone receptor 0.0233 0.035 0.0478
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0094 0.0124 0.0561
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0242 0.0363 0.17
Schistosoma mansoni microtubule-associated protein tau 0.0687 0.1086 0.5143
Leishmania major phosphatidylinositol 3-kinase, putative 0.0094 0.0124 0.0436
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0722 0.1143 0.5411
Mycobacterium tuberculosis Conserved protein 0.0041 0.0037 0.095
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0027 0.0033
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0722 0.1143 0.5411
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0468 0.073 0.1001
Mycobacterium tuberculosis Conserved protein 0.0041 0.0037 0.095
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0164 0.078
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0021 0.0054
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0037 0.0119
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0037 0.5293
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1316 0.2107 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.001 0.1376
Leishmania major hypothetical protein, conserved 0.003 0.0021 0.0054
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.001 0.0247
Entamoeba histolytica hypothetical protein 0.0036 0.003 0.0114
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0242 0.0363 0.0496
Schistosoma mansoni inositol monophosphatase 0.0037 0.0032 0.0122
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0094 0.0124 0.0436
Loa Loa (eye worm) phosphatidylinositol 3 0.022 0.0328 0.1559
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0032 0.0098
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.007 0.0306
Giardia lamblia PHD finger protein 15 0.0029 0.0018 0.0046
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.007 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0037 1
Echinococcus granulosus geminin 0.0191 0.0281 0.1311
Onchocerca volvulus 0.0445 0.0693 0.0688
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0037 0.5293
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.001 0.0013
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.1316 0.2107 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0037 0.0148
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0006 0.0004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.007 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0055 0.0233
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0055 0.0261
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0037 0.0148
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.1316 0.2107 0.7767
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0006 0.0022
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0062 0.0266
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0028 0.0106
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0065 0.0219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0055 0.0233
Plasmodium falciparum phd finger protein, putative 0.0029 0.0018 0.0068
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0018 0.0047
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.003 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0055 0.0186
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0039 0.0122
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0032 0.0095
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.0039 0.0157
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0037 0.0148
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0037 0.0115
Brugia malayi Telomerase reverse transcriptase 0.4493 0.7261 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.0171 0.0165
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.035 0.1662
Plasmodium vivax hypothetical protein 0.0021 0.0006 0.0022
Toxoplasma gondii RNA-directed DNA polymerase 0.1689 0.2711 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.001 0.0013

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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