Detailed information for compound 1198459

Basic information

Technical information
  • TDR Targets ID: 1198459
  • Name: 5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazo le-2-thione
  • MW: 222.264 | Formula: C10H10N2O2S
  • H donors: 0 H acceptors: 2 LogP: 2.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)OCc1nnc(o1)S
  • InChi: 1S/C10H10N2O2S/c1-7-3-2-4-8(5-7)13-6-9-11-12-10(15)14-9/h2-5H,6H2,1H3,(H,12,15)
  • InChiKey: BKXGWMZQIKEMTN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 66178-72-1
  • BAS 01541954
  • 5-m-Tolyloxymethyl-3H-[1,3,4]oxadiazole-2-thione
  • T0514-1513
  • 1,3,4-OXADIAZOLE-2-THIOL, 5-(m-TOLYLOXYMETHYL)-
  • 5-(m-Tolyloxymethyl)-1,3,4-oxadiazole-2-thiol
  • ZINC04724862
  • MLS000073727
  • ZINC04950063
  • SMR000010654

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.021 0.1512
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.0311 0.4826
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.0329 0.2365
Mycobacterium tuberculosis Probable lipase LipE 0.0154 0.0367 0.035
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0311 0.2234
Trypanosoma brucei trypanothione reductase 0.0039 0.0044 0.0906
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0961 0.2654 0.2374
Brugia malayi beta-lactamase family protein 0.0154 0.0367 0.5704
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0311 0.2234
Brugia malayi CHE-14 protein 0.0042 0.0052 0.0801
Loa Loa (eye worm) hypothetical protein 0.0098 0.021 0.3259
Loa Loa (eye worm) hypothetical protein 0.0036 0.0035 0.0538
Schistosoma mansoni lipoxygenase 0.0067 0.0121 0.0872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.021 0.1512
Mycobacterium ulcerans oxidoreductase 0.025 0.0642 0.0285
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.0186 0.0154
Leishmania major hypothetical protein, conserved 0.0154 0.0367 0.5649
Schistosoma mansoni patched 1 0.0042 0.0052 0.0371
Echinococcus granulosus lysine specific histone demethylase 1A 0.025 0.0642 0.4612
Brugia malayi Pre-SET motif family protein 0.0036 0.0035 0.0538
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0026 0.0409
Mycobacterium tuberculosis Conserved protein 0.0154 0.0367 0.035
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.021 0.3265
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0154 0.0367 0.5704
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0052 0.0371
Toxoplasma gondii thioredoxin reductase 0.0039 0.0044 0.0512
Echinococcus granulosus lysine specific histone demethylase 1A 0.025 0.0642 0.4612
Echinococcus granulosus GPCR family 2 0.0033 0.0026 0.0189
Entamoeba histolytica fatty acid elongase, putative 0.0125 0.0286 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0311 0.2234
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0012 0.0043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0031 0.0222
Trypanosoma cruzi UDP-galactopyranose mutase 0.025 0.0642 1
Onchocerca volvulus 0.0154 0.0367 0.4949
Onchocerca volvulus 0.0036 0.0035 0.0467
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.025 0.0642 0.2417
Echinococcus granulosus geminin 0.0515 0.1391 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0367 0.5704
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.021 0.0457
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0012 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0229 0.3553
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0035 0.0367
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0644 1
Onchocerca volvulus 0.025 0.0642 0.8641
Loa Loa (eye worm) hypothetical protein 0.025 0.0642 0.996
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.0215 0.0185
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.025 0.0642 0.4612
Toxoplasma gondii ABC1 family protein 0.0154 0.0367 0.5649
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.021 0.3259
Entamoeba histolytica fatty acid elongase, putative 0.0125 0.0286 1
Mycobacterium tuberculosis Probable esterase LipL 0.0154 0.0367 0.035
Loa Loa (eye worm) hypothetical protein 0.025 0.0642 0.996
Loa Loa (eye worm) hypothetical protein 0.0154 0.0367 0.5704
Mycobacterium leprae conserved hypothetical protein 0.0154 0.0367 0.3979
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0154 0.0367 0.035
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.0329 0.0715
Mycobacterium tuberculosis Probable lipase LipD 0.0154 0.0367 0.035
Echinococcus multilocularis protein dispatched 1 0.0048 0.0068 0.0149
Plasmodium falciparum thioredoxin reductase 0.0039 0.0044 0.0165
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0044 0.0165
Brugia malayi Thioredoxin reductase 0.0039 0.0044 0.068
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0742 1
Brugia malayi hypothetical protein 0.025 0.0642 0.996
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0078 0.0152 0.1094
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0046 0.0063 0.0454
Loa Loa (eye worm) hypothetical protein 0.0154 0.0367 0.5704
Schistosoma mansoni hypothetical protein 0.0041 0.0047 0.034
Schistosoma mansoni amine oxidase 0.025 0.0642 0.4612
Schistosoma mansoni hypothetical protein 0.0041 0.0047 0.034
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0311 0.2234
Trichomonas vaginalis penicillin-binding protein, putative 0.0154 0.0367 0.4572
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0026 0.0057
Onchocerca volvulus 0.0286 0.0742 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0229 0.3553
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0026 0.0057
Trichomonas vaginalis penicillin-binding protein, putative 0.0154 0.0367 0.4572
Brugia malayi SWIRM domain containing protein 0.025 0.0642 0.996
Brugia malayi Protein kinase domain containing protein 0.0046 0.0063 0.0981
Schistosoma mansoni hypothetical protein 0.0033 0.0026 0.0189
Loa Loa (eye worm) RNA binding protein 0.0134 0.0311 0.4826
Mycobacterium tuberculosis Probable reductase 0.009 0.0186 0.0154
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0035 0.0075
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0154 0.0367 0.2641
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0135 0.2097
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0035 0.0075
Leishmania major trypanothione reductase 0.0039 0.0044 0.0512
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0367 0.5649
Loa Loa (eye worm) hypothetical protein 0.025 0.0642 0.996
Loa Loa (eye worm) hypothetical protein 0.025 0.0642 0.996
Schistosoma mansoni tyrosine kinase 0.0078 0.0152 0.1094
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0229 0.3553
Loa Loa (eye worm) TK/INSR protein kinase 0.0046 0.0063 0.0981
Schistosoma mansoni hypothetical protein 0.0033 0.0026 0.0189
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0026 0.0409
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0179
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.0215 0.0185
Entamoeba histolytica fatty acid elongase, putative 0.0125 0.0286 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.0186 0.0154
Brugia malayi RNA binding protein 0.0134 0.0311 0.4826
Echinococcus multilocularis insulin receptor 0.0046 0.0063 0.0137
Schistosoma mansoni Lysine-specific histone demethylase 1 0.025 0.0642 0.4612
Schistosoma mansoni tyrosine kinase 0.0046 0.0063 0.0454
Entamoeba histolytica fatty acid elongase, putative 0.0125 0.0286 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0052 0.0801
Schistosoma mansoni amine oxidase 0.025 0.0642 0.4612
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0012 0.0043
Mycobacterium ulcerans monoamine oxidase 0.025 0.0642 0.0285
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0367 0.4572
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0154 0.0367 0.2641
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0961 0.2654 0.2374
Plasmodium vivax SET domain protein, putative 0.0036 0.0035 0.0131
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.021 0.0456
Echinococcus multilocularis protein patched 0.0042 0.0052 0.0112
Mycobacterium tuberculosis Conserved protein 0.0154 0.0367 0.035
Trichomonas vaginalis esterase, putative 0.0154 0.0367 0.4572
Echinococcus granulosus epidermal growth factor receptor 0.0144 0.0341 0.2453
Brugia malayi hypothetical protein 0.0028 0.0012 0.0179
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0052 0.0371
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0961 0.2654 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0035 0.0249
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.0215 0.0185
Loa Loa (eye worm) hypothetical protein 0.025 0.0642 0.996
Schistosoma mansoni hypothetical protein 0.0515 0.1391 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.021 0.1512
Schistosoma mansoni tyrosine kinase 0.0078 0.0152 0.1094
Brugia malayi TAR-binding protein 0.0134 0.0311 0.4826
Echinococcus multilocularis epidermal growth factor receptor 0.0078 0.0152 0.0331
Schistosoma mansoni hypothetical protein 0.0033 0.0026 0.0189
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0052 0.0112
Brugia malayi beta-lactamase 0.0154 0.0367 0.5704
Brugia malayi amine oxidase, flavin-containing family protein 0.025 0.0642 0.996
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0154 0.0367 0.035
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.0186 0.0154
Entamoeba histolytica fatty acid elongase, putative 0.0125 0.0286 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.0215 0.0622
Loa Loa (eye worm) hypothetical protein 0.0154 0.0367 0.5704
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0052 0.0801
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.025 0.0642 0.2417
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0961 0.2654 0.2823
Loa Loa (eye worm) TAR-binding protein 0.0134 0.0311 0.4826
Brugia malayi Pre-SET motif family protein 0.0251 0.0644 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0144 0.0341 0.5297
Loa Loa (eye worm) glutathione reductase 0.0039 0.0044 0.068
Loa Loa (eye worm) hypothetical protein 0.0051 0.0078 0.1217
Loa Loa (eye worm) hypothetical protein 0.0033 0.0026 0.0409
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0035 0.0249
Echinococcus granulosus epidermal growth factor receptor 0.0078 0.0152 0.1094
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0961 0.2654 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.025 0.0642 0.0285
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0035 0.0249
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0961 0.2654 0.2374
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.025 0.0642 0.2417
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0044 0.068
Schistosoma mansoni hypothetical protein 0.0033 0.0026 0.0189
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0045 0.0098
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.021 0.0457
Mycobacterium leprae Probable lipase LipE 0.0154 0.0367 0.3979
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.0186 0.0154
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0367 0.5649
Plasmodium falciparum glutathione reductase 0.0039 0.0044 0.0165
Plasmodium falciparum protoporphyrinogen oxidase 0.025 0.0642 0.2417
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0311 0.2234
Echinococcus granulosus beta LACTamase domain containing family member 0.0154 0.0367 0.2641
Onchocerca volvulus 0.0154 0.0367 0.4949
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3556 1 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.025 0.0642 1
Brugia malayi glutathione reductase 0.0039 0.0044 0.068
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.0186 0.0154
Plasmodium vivax hypothetical protein, conserved 0.025 0.0642 0.2417
Loa Loa (eye worm) hypothetical protein 0.0154 0.0367 0.5704
Echinococcus multilocularis 0.0045 0.0059 0.0128
Mycobacterium ulcerans dehydrogenase 0.025 0.0642 0.0285
Echinococcus multilocularis tar DNA binding protein 0.0134 0.0311 0.0676
Plasmodium vivax hypothetical protein, conserved 0.025 0.0642 0.2417
Mycobacterium tuberculosis Possible oxidoreductase 0.025 0.0642 0.0646
Brugia malayi beta-lactamase family protein 0.0154 0.0367 0.5704
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0045 0.0326
Trypanosoma brucei hypothetical protein, conserved 0.0154 0.0367 1
Echinococcus granulosus expressed conserved protein 0.0092 0.0193 0.1388
Loa Loa (eye worm) hypothetical protein 0.0072 0.0135 0.2097
Schistosoma mansoni hypothetical protein 0.0041 0.0047 0.034
Echinococcus granulosus insulin receptor 0.0046 0.0063 0.0454
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.0311 0.4826
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0121 0.0872
Schistosoma mansoni tyrosine kinase 0.0144 0.0341 0.2453
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.021 0.1512
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0026 0.0189
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0154 0.0367 0.5704
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.3305 0.9291 1
Onchocerca volvulus 0.0154 0.0367 0.4949
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0154 0.0367 0.035
Loa Loa (eye worm) beta-lactamase 0.0154 0.0367 0.5704
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.025 0.0642 1
Leishmania major UDP-galactopyranose mutase 0.025 0.0642 1
Schistosoma mansoni tyrosine kinase 0.0046 0.0063 0.0454
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0214 0.154
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0367 0.4572
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0961 0.2654 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0981 0.2711 0.2884
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0367 0.4572
Schistosoma mansoni tyrosine kinase 0.0077 0.015 0.1077
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1649 0.4601 1
Brugia malayi Furin-like cysteine rich region family protein 0.0144 0.0341 0.5297
Trypanosoma cruzi UDP-galactopyranose mutase 0.025 0.0642 1
Echinococcus multilocularis GPCR, family 2 0.0033 0.0026 0.0057
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.021 0.1509
Mycobacterium tuberculosis Conserved protein 0.0154 0.0367 0.035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.021 0.1512
Loa Loa (eye worm) hypothetical protein 0.0154 0.0367 0.5704
Schistosoma mansoni hypothetical protein 0.0041 0.0047 0.034
Loa Loa (eye worm) hypothetical protein 0.0105 0.0229 0.3553
Echinococcus multilocularis geminin 0.0515 0.1391 0.3024
Echinococcus granulosus tar DNA binding protein 0.0134 0.0311 0.2234
Schistosoma mansoni tyrosine kinase 0.0077 0.015 0.1077
Echinococcus multilocularis epidermal growth factor receptor 0.0144 0.0341 0.0742
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0026 0.0409
Toxoplasma gondii histone lysine-specific demethylase 0.025 0.0642 1
Plasmodium vivax hypothetical protein, conserved 0.0154 0.0367 0.1384
Loa Loa (eye worm) hypothetical protein 0.025 0.0642 0.996
Echinococcus multilocularis lysine specific histone demethylase 1A 0.025 0.0642 0.1394
Schistosoma mansoni hypothetical protein 0.0072 0.0135 0.0971
Schistosoma mansoni tyrosine kinase 0.0077 0.015 0.1077
Mycobacterium tuberculosis Probable hydrolase 0.0154 0.0367 0.035
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0046 0.0063 0.0137
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0035 0.0249
Echinococcus multilocularis protoporphyrinogen oxidase 0.025 0.0642 0.1394
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0026 0.0189
Plasmodium vivax glutathione reductase, putative 0.0039 0.0044 0.0165
Mycobacterium tuberculosis Conserved hypothetical protein 0.025 0.0642 0.0646
Echinococcus multilocularis beta LACTamase domain containing family member 0.0154 0.0367 0.0799
Schistosoma mansoni hypothetical protein 0.0515 0.1391 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.025 0.0642 0.2417
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0035 0.0249
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0121 0.0264
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.021 0.3265
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0961 0.2654 1
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0044 0.0512
Echinococcus multilocularis expressed conserved protein 0.0092 0.0193 0.042
Echinococcus multilocularis 0.025 0.0642 0.1394

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8275 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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