Detailed information for compound 587578

Basic information

Technical information
  • TDR Targets ID: 587578
  • Name: (5R)-2-isopropylidene-5-methyl-cyclohexanone
  • MW: 152.233 | Formula: C10H16O
  • H donors: 0 H acceptors: 1 LogP: 2.8 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CCC(=C(C)C)C(=O)C1
  • InChi: 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
  • InChiKey: NZGWDASTMWDZIW-MRVPVSSYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-2-isopropylidene-5-methylcyclohexanone
  • (5R)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one
  • (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
  • pulegone
  • (5R)-2-isopropylidene-5-methyl-cyclohexan-1-one
  • (5R)-2-isopropylidene-5-methyl-1-cyclohexanone
  • 89-82-7
  • CHEBI:35596
  • ()-Pulegone
  • (R)-()-Pulegone
  • (R)-2-Isopropylidene-5-methylcyclohexanone
  • (R)-p-Menth-4(8)-en-3-one
  • 376388_ALDRICH
  • (+)-Pulegone
  • C09893
  • LMPR01020067
  • ST5307579
  • ZINC02018602
  • W296309_ALDRICH
  • 82569_FLUKA
  • R-(+)-Pulegone
  • P55708_ALDRICH
  • (5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-one
  • 1beta-p-menth-4(8)-en-3-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Homo sapiens androgen receptor 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
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.0752 0.311
Echinococcus multilocularis neuropeptide receptor 0.0155 0.1192 0.1192
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0064 0.1236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0057 0.035 0.0594
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0478 0.125
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0001 0.0001
Brugia malayi Importin beta-1 subunit 0.0028 0.0104 0.0177
Loa Loa (eye worm) hypothetical protein 0.0054 0.0324 0.055
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0028 0.0048
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0028 0.0116
Echinococcus granulosus geminin 0.0164 0.1264 0.1264
Onchocerca volvulus 0.0144 0.1093 0.3036
Schistosoma mansoni lozenge 0.0054 0.0326 0.1347
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.0794 0.2088
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0104 0.2077
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0171 0.4801
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0001 0.0001
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0345 0.2816 0.2816
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0014 0.0022
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0897 0.2362
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0006 0.0006
Trypanosoma brucei trypanothione reductase 0.0048 0.0272 0.564
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0478 0.0478
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0064 0.1236
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0478 0.125
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.2417 0.4105
Brugia malayi beta-lactamase family protein 0.0072 0.0478 0.0811
Echinococcus granulosus importin subunit beta 1 0.0028 0.0104 0.0104
Mycobacterium tuberculosis Conserved protein 0.0072 0.0478 0.125
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0057 0.035 0.0912
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0057 0.035 0.7293
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0478 0.4963
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0478 1
Schistosoma mansoni hypothetical protein 0.0042 0.0226 0.0936
Echinococcus multilocularis nuclear factor of activated T cells 5 0.1186 1 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.0478 0.125
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0064 0.1236
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.026 0.1076
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.0738 0.0738
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0064 0.1236
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0028 0.0028
Leishmania major hypothetical protein, conserved 0.0072 0.0478 1
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0028 0.0116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0028 0.0048
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.3501
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0064 0.0081
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0028 0.0048
Brugia malayi nuclear hormone receptor 0.0019 0.0028 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.026 0.1076
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0028 0.0028
Brugia malayi MH2 domain containing protein 0.0232 0.1848 0.3138
Echinococcus multilocularis Ankyrin 0.0114 0.0837 0.0837
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0478 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0028 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Loa Loa (eye worm) hypothetical protein 0.0072 0.0478 0.0811
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0064 0.0155
Echinococcus multilocularis Protein lozenge 0.0054 0.0326 0.0326
Mycobacterium ulcerans hypothetical protein 0.0023 0.0064 0.1236
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.0794 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0028 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0028 0.0048
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0064 0.1236
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0104 0.0104
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0272 0.0462
Echinococcus multilocularis jun protein 0.0345 0.2816 0.2816
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0171 0.0171
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0272 0.0272
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.3501
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0028 0.0028
Echinococcus granulosus Ankyrin 0.0114 0.0837 0.0837
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0028 0.0116
Echinococcus multilocularis Niemann Pick C1 protein 0.0146 0.1113 0.1113
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0296 0.0502
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0296 0.0502
Mycobacterium ulcerans beta-lactamase 0.0072 0.0478 1
Echinococcus multilocularis G protein coupled receptor 139 0.0155 0.1192 0.1192
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0028 0.0048
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0104 0.2077
Schistosoma mansoni ankyrin 23/unc44 0.0113 0.0833 0.3447
Mycobacterium ulcerans hypothetical protein 0.0072 0.0478 1
Onchocerca volvulus 0.0072 0.0478 0.1281
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0113 0.0833 0.0833
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0028 0.0048
Echinococcus multilocularis protein patched 0.0044 0.024 0.024
Echinococcus granulosus survival motor neuron protein 1 0.0705 0.5888 0.5888
Brugia malayi hypothetical protein 0.043 0.3537 0.6008
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0028 0.0048
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0028 0.0048
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0897 0.2362
Loa Loa (eye worm) inositol-1 0.0036 0.0171 0.0291
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0272 0.564
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.035 1
Schistosoma mansoni neuropeptide receptor 0.0155 0.1192 0.4932
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0028 0.0028
Brugia malayi CHE-14 protein 0.0044 0.024 0.0407
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0171 0.3501
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0478 0.125
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0028 0.0116
Brugia malayi Thioredoxin reductase 0.0048 0.0272 0.0462
Echinococcus multilocularis geminin 0.0164 0.1264 0.1264
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0077 0.1503
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0171 0.3501
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.026 0.0442
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0478 0.0811
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0478 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0014 0.0167
Brugia malayi bZIP transcription factor family protein 0.0345 0.2816 0.4782
Brugia malayi glutathione reductase 0.0048 0.0272 0.0462
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0272 0.564
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0109
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0077 0.206
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0057 0.035 0.4286
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0272 0.0706
Brugia malayi Protein kinase domain containing protein 0.0113 0.0833 0.1415
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0006 0.0025
Echinococcus multilocularis protein dispatched 1 0.005 0.0293 0.0293
Schistosoma mansoni survival motor neuron protein 0.0144 0.1093 0.4524
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0171 0.0171
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0064 0.0109
Echinococcus granulosus Niemann Pick C1 protein 0.0146 0.1113 0.1113
Loa Loa (eye worm) hypothetical protein 0.0072 0.0478 0.0811
Mycobacterium tuberculosis Conserved protein 0.0072 0.0478 0.125
Loa Loa (eye worm) hypothetical protein 0.0113 0.0833 0.1415
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0478 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.0738 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0345 0.2816 0.2816
Schistosoma mansoni coup transcription factor 0.0019 0.0028 0.0116
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.1848 0.3138
Brugia malayi ecdysteroid receptor 0.0019 0.0028 0.0048
Toxoplasma gondii exonuclease III APE 0.0057 0.035 0.7293
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0057 0.035 0.7293
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0468 0.0468
Schistosoma mansoni hypothetical protein 0.0016 0.0001 0.0005
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0064 0.1236
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.026 0.026
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0144 0.1093 0.1857
Schistosoma mansoni ap endonuclease 0.0057 0.035 0.1448
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0478 0.0478
Leishmania major trypanothione reductase 0.0048 0.0272 0.564
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.035 0.7293
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.0738 0.1254
Loa Loa (eye worm) hypothetical protein 0.043 0.3537 0.6008
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0001 0.0002
Loa Loa (eye worm) runx1 0.0054 0.0326 0.0553
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0028 0.0048
Brugia malayi Inositol-1 0.0036 0.0171 0.0291
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.026 0.0442
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0014 0.0229
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.026 0.1076
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0028 0.0028
Brugia malayi hypothetical protein 0.0705 0.5888 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0028 0.0048
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.024 0.0407
Brugia malayi exodeoxyribonuclease III family protein 0.0057 0.035 0.0594
Schistosoma mansoni inositol monophosphatase 0.0036 0.0171 0.0708
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.0738 0.0738
Loa Loa (eye worm) glutathione reductase 0.0048 0.0272 0.0462
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0028 0.0028
Brugia malayi Immunoglobulin I-set domain containing protein 0.0113 0.0833 0.1415
Loa Loa (eye worm) hypothetical protein 0.0072 0.0478 0.0811
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0028 0.0028
Echinococcus granulosus jun protein 0.0345 0.2816 0.2816
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.024 0.4955
Plasmodium falciparum thioredoxin reductase 0.0048 0.0272 0.7734
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0028 0.0028
Leishmania major hypothetical protein, conserved 0.0025 0.0077 0.1503
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0296 0.0502
Echinococcus multilocularis snurportin 1 0.0299 0.2417 0.2417
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.024 0.024
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0281 0.2263 0.9363
Loa Loa (eye worm) hypothetical protein 0.0034 0.0159 0.0271
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0057 0.035 1
Schistosoma mansoni gabp alpha 0.0071 0.0468 0.1936
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0057 0.035 0.7293
Loa Loa (eye worm) hypothetical protein 0.005 0.0296 0.0502
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.026 0.026
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0077 0.206
Schistosoma mansoni inositol monophosphatase 0.0036 0.0171 0.0708
Echinococcus granulosus netrin receptor unc 5 0.0113 0.0833 0.0833
Echinococcus granulosus expressed conserved protein 0.0096 0.0685 0.0685
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0028 0.0028
Echinococcus granulosus neuropeptide receptor 0.0155 0.1192 0.1192
Loa Loa (eye worm) fli-1 protein 0.0214 0.1696 0.288
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.3501
Mycobacterium ulcerans lipase LipD 0.0072 0.0478 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0478 0.0811
Schistosoma mansoni hypothetical protein 0.0016 0.0001 0.0005
Schistosoma mansoni hypothetical protein 0.0034 0.0159 0.0659
Echinococcus multilocularis survival motor neuron protein 1 0.0705 0.5888 0.5888
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0171 0.3501
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0006 0.0001
Toxoplasma gondii thioredoxin reductase 0.0048 0.0272 0.564
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0478 0.1976
Brugia malayi RNA, U transporter 1 0.008 0.0545 0.0925
Schistosoma mansoni hypothetical protein 0.0042 0.0226 0.0936
Loa Loa (eye worm) hypothetical protein 0.0044 0.024 0.0407
Echinococcus multilocularis GPCR, family 2 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0109
Brugia malayi steroid hormone receptor 0.0019 0.0028 0.0048
Trichomonas vaginalis esterase, putative 0.0072 0.0478 1
Mycobacterium leprae Probable lipase LipE 0.0072 0.0478 0.4963
Onchocerca volvulus 0.0072 0.0478 0.1281
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0299 0.2417 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0057 0.035 0.035
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0028 0.0028
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0064 0.0081
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.024 0.024
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0059 0.1119
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0064 0.1236
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0028 0.0048
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.3501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0164 0.1264 0.5229
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0478 0.125
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.035 0.7293
Leishmania major importin beta-1 subunit, putative 0.0023 0.0059 0.1119
Brugia malayi beta-lactamase 0.0072 0.0478 0.0811
Brugia malayi Fli-1 protein 0.0214 0.1696 0.288
Schistosoma mansoni patched 1 0.0044 0.024 0.0992
Schistosoma mansoni netrin receptor unc5 0.0113 0.0833 0.3447
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0064 0.1236
Onchocerca volvulus 0.0072 0.0478 0.1281
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0064 0.0109
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0059 0.1119
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Brugia malayi nuclear receptor NHR-88 0.0019 0.0028 0.0048
Schistosoma mansoni hypothetical protein 0.0113 0.0833 0.3447
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0001 0.0001
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0028 0.0116
Schistosoma mansoni importin beta-1 0.0028 0.0104 0.043
Treponema pallidum exodeoxyribonuclease (exoA) 0.0057 0.035 1
Brugia malayi hypothetical protein 0.0025 0.0077 0.0131
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0171 0.3501
Loa Loa (eye worm) hypothetical protein 0.0028 0.0104 0.0177
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0897 0.2362
Plasmodium vivax importin-beta 2, putative 0.0028 0.0104 0.2077
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0113 0.0833 0.1415
Echinococcus granulosus death domain containing protein 0.0113 0.0833 0.0833
Loa Loa (eye worm) hypothetical protein 0.0336 0.2735 0.4645
Loa Loa (eye worm) hypothetical protein 0.0705 0.5888 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0837 0.1422
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0028 0.0048
Echinococcus granulosus GPCR family 2 0.0016 0.0001 0.0001
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0159 0.0271
Plasmodium falciparum importin beta, putative 0.0028 0.0104 0.2848
Echinococcus multilocularis netrin receptor unc 5 0.0113 0.0833 0.0833
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0028 0.0116
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0478 1
Brugia malayi Uncoordinated protein 44 0.0113 0.0833 0.1415
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0064 0.1236
Plasmodium falciparum glutathione reductase 0.0048 0.0272 0.7734
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0139 0.0898
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.1848 0.3138
Schistosoma mansoni hypothetical protein 0.0016 0.0001 0.0005
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0001 0.0002
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0458 0.378 1
Echinococcus granulosus snurportin 1 0.0299 0.2417 0.2417
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0028 0.0028
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0064 0.0081
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0028 0.0028
Brugia malayi beta-lactamase family protein 0.0072 0.0478 0.0811
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0114 0.0837 0.3464
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0478 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.0794 0.8756
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0064 0.1236
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Schistosoma mansoni hypothetical protein 0.0164 0.1264 0.5229
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0171 0.3501
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0057 0.035 1
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0478 0.125
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0897 1
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0028 0.0028
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0014 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0028 0.0116
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0059 0.1119
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.0794 0.2088
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0113 0.0833 0.0833
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0028 0.0048
Toxoplasma gondii ABC1 family protein 0.0072 0.0478 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0131
Loa Loa (eye worm) hypothetical protein 0.0072 0.0478 0.0811
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0468 0.0795
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0006 0.001
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Echinococcus multilocularis expressed conserved protein 0.0096 0.0685 0.0685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0072 0.0478 0.0811
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0077 0.1503
Brugia malayi hypothetical protein 0.0016 0.0002 0.0003
Onchocerca volvulus 0.0271 0.2182 0.6138
Mycobacterium tuberculosis Probable reductase 0.0109 0.0794 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0028 0.0048
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0028 0.0116
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0028 0.0116
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0057 0.035 0.7293
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0478 0.125
Brugia malayi hypothetical protein 0.0271 0.2182 0.3706
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0028 0.0048
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0468 0.0468
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0028 0.0048
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0028 0.0028
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0028 0.0048
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0028 0.0048
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0077 0.1503
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0478 0.0811
Schistosoma mansoni jun-related protein 0.0281 0.2263 0.9363
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0001 0.0001
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0139 0.0353
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0077 0.1503
Loa Loa (eye worm) hypothetical protein 0.0102 0.0738 0.1254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0028 0.0048
Schistosoma mansoni ap endonuclease 0.0057 0.035 0.1448
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0064 0.0109
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0014 0.0167
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.006 0.038 0.0646
Brugia malayi Ets-domain containing protein 0.0071 0.0468 0.0795
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0028 0.0116
Loa Loa (eye worm) hypothetical protein 0.043 0.3537 0.6008
Onchocerca volvulus 0.043 0.3537 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0057 0.035 0.035
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.0794 0.2088
Onchocerca volvulus Netrin receptor homolog 0.0113 0.0833 0.2294
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0109
Brugia malayi Ets-domain containing protein 0.0071 0.0468 0.0795
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0028 0.0048
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.035 0.7293
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0001 0.0002
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0104 0.2077
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0028 0.0048
Schistosoma mansoni hypothetical protein 0.0042 0.0226 0.0936
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0028 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0028 0.0048
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0077 0.1503
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0478 0.125
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0478 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0028 0.0048
Schistosoma mansoni hypothetical protein 0.0144 0.1093 0.4524
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.0794 0.2088
Schistosoma mansoni hypothetical protein 0.0042 0.0226 0.0936
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0171 0.1654
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0478 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0057 0.035 0.7293
Echinococcus granulosus Protein patched homolog 1 0.0044 0.024 0.024
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0028 0.0116
Onchocerca volvulus 0.0023 0.0064 0.0103
Schistosoma mansoni ets-related 0.0214 0.1696 0.7015
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0478 1
Brugia malayi Death domain containing protein 0.0113 0.0833 0.1415
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0478 0.1976
Plasmodium vivax glutathione reductase, putative 0.0048 0.0272 0.564
Schistosoma mansoni hypothetical protein 0.0016 0.0001 0.0005
Loa Loa (eye worm) beta-lactamase 0.0072 0.0478 0.0811
Loa Loa (eye worm) hypothetical protein 0.0019 0.0028 0.0048
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0478 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0064 0.0155
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0478 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0059 0.1119
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0002

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 132 % Displacement of [3H]TBOB binding to GABA receptor in Musca domestica (house fly) heads homogenates assessed as [3H]TBOB binding at 500 uM incubated for 90 min by scintillation counting method ChEMBL. 22461383
Potency (functional) 0.0062 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.6437 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.6437 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.5743 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) 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.
 
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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