Detailed information for compound 1306578

Basic information

Technical information
  • TDR Targets ID: 1306578
  • Name: N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propan amide
  • MW: 300.352 | Formula: C17H20N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)Nc1ccc2c(c1)C(=O)N(C2=O)C1CCCCC1
  • InChi: 1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
  • InChiKey: PKJLQNZKQMNHAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-cyclohexyl-1,3-dioxo-isoindolin-5-yl)propanamide
  • N-(2-cyclohexyl-1,3-dioxo-5-isoindolinyl)propanamide
  • N-(2-cyclohexyl-1,3-diketo-isoindolin-5-yl)propionamide
  • N-(2-cyclohexyl-1,3-dioxo-isoindol-5-yl)propanamide
  • STK276599
  • ZINC00312408
  • MLS000099936
  • N-(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
  • SMR000081105

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.0876 0.6967
Loa Loa (eye worm) hypothetical protein 0.0158 0.1465 0.1465
Brugia malayi Nuclear hormone receptor family member nhr-49 0.013 0.1167 0.1163
Brugia malayi Bromodomain containing protein 0.0042 0.0239 0.0235
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0061 0.0442 0.0438
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0221 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0053 0.0155
Schistosoma mansoni tar DNA-binding protein 0.0267 0.261 0.3513
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.013 0.1167 0.1163
Schistosoma mansoni nuclear receptor nhr-48 0.0061 0.0442 0.059
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0831 0.0827
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0227 0.0222
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1256 0.1256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.013 0.1167 0.1167
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0218 0.2096 0.2096
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0131 0.017
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.013 0.1167 0.1163
Leishmania major trypanothione reductase 0.004 0.0221 0.1666
Schistosoma mansoni hypothetical protein 0.0069 0.0523 0.0699
Loa Loa (eye worm) hypothetical protein 0.0047 0.029 0.029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.013 0.1167 0.1167
Brugia malayi MH2 domain containing protein 0.0138 0.1256 0.1252
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.013 0.1167 0.1163
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.052 0.0515
Brugia malayi Pre-SET motif family protein 0.0032 0.0131 0.0126
Loa Loa (eye worm) hypothetical protein 0.0078 0.0616 0.0616
Echinococcus granulosus nuclear receptor 2DBD gamma 0.013 0.1167 0.1163
Mycobacterium ulcerans aldehyde dehydrogenase 0.0138 0.125 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0061 0.0442 0.059
Brugia malayi Nuclear hormone receptor E75 0.0061 0.0442 0.0438
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0212 0.0207
Echinococcus multilocularis muscleblind protein 0.0166 0.1546 0.1542
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0057 0.0052
Schistosoma mansoni thyroid hormone receptor 0.013 0.1167 0.1567
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0831 0.1114
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 0.3196 0.3196
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0015 0.0015
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0069 0.0523 0.0518
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0069 0.052 0.0694
Schistosoma mansoni RAR-like nuclear receptor 0.013 0.1167 0.1567
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0015 0.0485
Schistosoma mansoni tar DNA-binding protein 0.0267 0.261 0.3513
Loa Loa (eye worm) latrophilin receptor protein 2 0.0069 0.0523 0.0523
Schistosoma mansoni hypothetical protein 0.0197 0.1877 0.2524
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.013 0.1167 0.1567
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0061 0.0442 0.0442
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0015 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 0.2096 0.2096
Brugia malayi nuclear receptor RXR 0.0061 0.0442 0.0438
Echinococcus granulosus snurportin 1 0.0322 0.3196 0.3193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.013 0.1167 0.1167
Echinococcus multilocularis thyroid hormone receptor alpha 0.013 0.1167 0.1163
Schistosoma mansoni aldehyde dehydrogenase 0.0138 0.125 0.1679
Brugia malayi nuclear receptor NHR-67 0.0061 0.0442 0.0438
Echinococcus granulosus Nuclear hormone receptor HR96 0.0061 0.0442 0.0438
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0057 0.007
Loa Loa (eye worm) glutathione reductase 0.004 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0149 0.1368 0.1368
Echinococcus granulosus GPCR family 2 0.0069 0.0523 0.0518
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0005
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0069 0.052 0.052
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0212 0.0207
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0197 0.1877 0.1872
Echinococcus multilocularis tar DNA binding protein 0.0267 0.261 0.2606
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0119 0.0114
Schistosoma mansoni hypothetical protein 0.0181 0.1704 0.2291
Echinococcus granulosus ecdysone induced protein 78C 0.013 0.1167 0.1163
Brugia malayi Nuclear hormone receptor family member nhr-31 0.013 0.1167 0.1163
Echinococcus granulosus neuropeptide receptor 0.0183 0.173 0.1726
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.013 0.1167 0.1163
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0053 0.0155
Loa Loa (eye worm) DR-78 0.0061 0.0442 0.0442
Echinococcus multilocularis microtubule associated protein 2 0.0722 0.742 0.7419
Loa Loa (eye worm) hypothetical protein 0.0051 0.0329 0.0329
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0329 0.0437
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Schistosoma mansoni lipoxygenase 0.0119 0.1051 0.141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.0442 0.0438
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0131 0.017
Brugia malayi glutathione reductase 0.004 0.0221 0.0216
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.0767 0.6089
Schistosoma mansoni importin beta-1 0.003 0.0114 0.0147
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0069 0.0523 0.0518
Echinococcus multilocularis ecdysone induced protein 78C 0.013 0.1167 0.1163
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0138 0.125 1
Onchocerca volvulus 0.0197 0.1877 0.7613
Echinococcus multilocularis importin subunit beta 1 0.003 0.0114 0.0109
Brugia malayi Importin beta-1 subunit 0.003 0.0114 0.0109
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0069 0.052 0.0515
Brugia malayi tailless protein 0.0061 0.0442 0.0438
Schistosoma mansoni ap endonuclease 0.0021 0.0015 0.0014
Brugia malayi PHD-finger family protein 0.0027 0.0084 0.0079
Brugia malayi nuclear hormone receptor family member nhr-6 0.0061 0.0442 0.0438
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0329 0.0324
Brugia malayi hypothetical protein 0.0061 0.0442 0.0438
Onchocerca volvulus 0.0158 0.1465 0.5938
Schistosoma mansoni tar DNA-binding protein 0.0267 0.261 0.3513
Brugia malayi ecdysteroid receptor 0.013 0.1167 0.1163
Brugia malayi Nuclear hormone receptor family member nhr-14 0.013 0.1167 0.1163
Schistosoma mansoni nuclear receptor 0.0061 0.0442 0.059
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Schistosoma mansoni thyroid hormone receptor 0.013 0.1167 0.1567
Schistosoma mansoni survival motor neuron protein 0.0197 0.1877 0.2524
Echinococcus granulosus muscleblind protein 0.0166 0.1546 0.1542
Mycobacterium ulcerans aldehyde dehydrogenase 0.0138 0.125 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0015 0.001
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Brugia malayi Thioredoxin reductase 0.004 0.0221 0.0216
Loa Loa (eye worm) hypothetical protein 0.003 0.0114 0.0114
Brugia malayi photoreceptor-specific nuclear receptor 0.013 0.1167 0.1163
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0069 0.052 0.0694
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0267 0.261 0.261
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.013 0.1167 0.1167
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0069 0.0523 0.0518
Echinococcus granulosus importin subunit beta 1 0.003 0.0114 0.0109
Schistosoma mansoni steroid hormone receptor ad4bp 0.013 0.1167 0.1567
Plasmodium vivax glutathione reductase, putative 0.004 0.0221 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.013 0.1167 0.1163
Brugia malayi Latrophilin receptor protein 2 0.0069 0.0523 0.0518
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1256 0.1256
Echinococcus granulosus thyroid hormone receptor alpha 0.0061 0.0442 0.0438
Plasmodium falciparum thioredoxin reductase 0.004 0.0221 1
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.0876 1
Brugia malayi RNA recognition motif domain containing protein 0.0267 0.261 0.2606
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.013 0.1167 0.1163
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0015 0.001
Brugia malayi nuclear receptor RXR 0.0069 0.052 0.0515
Brugia malayi RNA, U transporter 1 0.0086 0.0701 0.0696
Brugia malayi ecdysone receptor 0.0061 0.0442 0.0438
Schistosoma mansoni zinc finger protein 0.0061 0.0442 0.059
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0138 0.125 0.1246
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0069 0.0523 0.0518
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0015 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0523 0.0523
Echinococcus granulosus geminin 0.0181 0.1704 0.17
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0831 0.1114
Brugia malayi Nuclear hormone receptor family member nhr-3 0.013 0.1167 0.1163
Schistosoma mansoni hypothetical protein 0.0023 0.0034 0.004
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Brugia malayi Calcitonin receptor-like protein seb-1 0.0218 0.2096 0.2092
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0114 0.4775
Schistosoma mansoni neuropeptide receptor 0.0183 0.173 0.2327
Plasmodium vivax SET domain protein, putative 0.0032 0.0131 0.5844
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0131 0.0939
Schistosoma mansoni nuclear hormone receptor 0.0061 0.0442 0.059
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0069 0.0523 0.0518
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.0767 0.6089
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.013 0.1167 0.1167
Schistosoma mansoni zinc finger protein 0.0022 0.0022 0.0023
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0488 0.0483
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.0876 0.6967
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0061 0.0442 0.0438
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0114 0.4775
Schistosoma mansoni tar DNA-binding protein 0.0267 0.261 0.3513
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0329 0.0437
Leishmania major importin beta-1 subunit, putative 0.0024 0.0053 0.0307
Brugia malayi nuclear receptor NHR-88 0.0061 0.0442 0.0438
Brugia malayi Nuclear hormone receptor family member nhr-41 0.013 0.1167 0.1163
Loa Loa (eye worm) hypothetical protein 0.0967 1 1
Trypanosoma brucei trypanothione reductase 0.004 0.0221 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0061 0.0442 0.059
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0114 0.0796
Echinococcus multilocularis FTZ F1 alpha 0.013 0.1167 0.1163
Schistosoma mansoni hypothetical protein 0.0149 0.1368 0.1838
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0053 0.0155
Plasmodium falciparum importin beta, putative 0.003 0.0114 0.5028
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.1051 0.1046
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0488 0.0483
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0045 0.0268 0.0268
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0221 0.1666
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0015 0.0485
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.013 0.1167 0.1167
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.013 0.1167 0.1163
Echinococcus multilocularis geminin 0.0181 0.1704 0.17
Loa Loa (eye worm) hypothetical protein 0.0166 0.1546 0.1546
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.013 0.1167 0.1163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.013 0.1167 0.1167
Onchocerca volvulus 0.0253 0.2463 1
Brugia malayi latrophilin 2 splice variant baaae 0.0149 0.1368 0.1364
Schistosoma mansoni ap endonuclease 0.0021 0.0015 0.0014
Brugia malayi hypothetical protein 0.0069 0.052 0.0515
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0831 0.0827
Brugia malayi RNA binding protein 0.0267 0.261 0.2606
Echinococcus multilocularis neuropeptide receptor 0.0183 0.173 0.1726
Brugia malayi nuclear hormone receptor 0.013 0.1167 0.1163
Mycobacterium ulcerans aldehyde dehydrogenase 0.0138 0.125 1
Echinococcus granulosus zinc finger protein 0.0022 0.0022 0.0017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0831 0.0831
Brugia malayi Muscleblind-like protein 0.0166 0.1546 0.1542
Plasmodium falciparum glutathione reductase 0.004 0.0221 1
Schistosoma mansoni lipoxygenase 0.0083 0.0673 0.0901
Toxoplasma gondii aldehyde dehydrogenase 0.0138 0.125 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.0442 0.0438
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.0767 0.6089
Schistosoma mansoni retinoid-x-receptor (RXR) 0.013 0.1167 0.1567
Echinococcus granulosus microtubule associated protein 2 0.0722 0.742 0.7419
Brugia malayi hypothetical protein 0.0061 0.0442 0.0438
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0069 0.052 0.0515
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0831 0.0827
Schistosoma mansoni hypothetical protein 0.0069 0.0523 0.0699
Echinococcus multilocularis G protein coupled receptor 139 0.0183 0.173 0.1726
Entamoeba histolytica hypothetical protein 0.0024 0.0053 1
Brugia malayi nuclear receptor NHR-88 0.013 0.1167 0.1163
Plasmodium vivax importin-beta 2, putative 0.003 0.0114 0.5028
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.2139 0.2139
Loa Loa (eye worm) hypothetical protein 0.0069 0.052 0.052
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.013 0.1167 0.1567
Brugia malayi Nuclear hormone receptor family member nhr-1 0.013 0.1167 0.1163
Onchocerca volvulus Protein ultraspiracle homolog 0.013 0.1167 0.4727
Schistosoma mansoni hypothetical protein 0.0181 0.1704 0.2291
Brugia malayi hypothetical protein 0.0158 0.1465 0.1461
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0061 0.0442 0.0438
Brugia malayi Pre-SET motif family protein 0.0222 0.2139 0.2136
Loa Loa (eye worm) nuclear receptor NHR-67 0.0061 0.0442 0.0442
Loa Loa (eye worm) TAR-binding protein 0.0267 0.261 0.261
Echinococcus granulosus FTZ F1 alpha 0.013 0.1167 0.1163
Echinococcus granulosus retinoic acid receptor rxr beta a 0.013 0.1167 0.1163
Brugia malayi Nuclear hormone receptor family member nhr-19 0.013 0.1167 0.1163
Echinococcus multilocularis GPCR, family 2 0.0069 0.0523 0.0518
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0329 0.0324
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.0876 0.6967
Brugia malayi Bromodomain containing protein 0.0082 0.0665 0.0661
Brugia malayi Nuclear hormone receptor-like 1 0.013 0.1167 0.1163
Onchocerca volvulus 0.013 0.1167 0.4727
Brugia malayi Nuclear hormone receptor family member nhr-25 0.013 0.1167 0.1163
Loa Loa (eye worm) doublecortin family protein 0.002 0.0005 0.0005
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.013 0.1167 0.1163
Echinococcus multilocularis muscleblind protein 1 0.0166 0.1546 0.1542
Brugia malayi orphan nuclear receptor NR2E1 0.0061 0.0442 0.0438
Schistosoma mansoni bromodomain containing protein 0.007 0.0529 0.0707
Schistosoma mansoni hypothetical protein 0.0069 0.0523 0.0699
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0061 0.0442 0.1779
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0061 0.0442 0.1779
Schistosoma mansoni retinoic acid receptor RXR 0.013 0.1167 0.1567
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Brugia malayi Nuclear hormone receptor E75 0.0061 0.0442 0.0438
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0227 0.0222
Loa Loa (eye worm) hypothetical protein 0.0069 0.052 0.052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0831 0.0827
Echinococcus multilocularis zinc finger protein 0.0022 0.0022 0.0017
Brugia malayi nuclear hormone receptor 0.0061 0.0442 0.0438
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.0767 0.6089
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0218 0.2096 0.2092
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.013 0.1167 0.1567
Echinococcus granulosus nuclear receptor nhr 48 0.0061 0.0442 0.0438
Onchocerca volvulus 0.0032 0.0131 0.0514
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0061 0.0442 0.0438
Loa Loa (eye worm) hypothetical protein 0.0069 0.052 0.052
Schistosoma mansoni microtubule-associated protein tau 0.0722 0.742 1
Onchocerca volvulus 0.0061 0.0442 0.1779
Loa Loa (eye worm) hypothetical protein 0.0069 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-40 0.013 0.1167 0.1163
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0053 0.1845
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Schistosoma mansoni nuclear hormone receptor 0.0061 0.0442 0.059
Echinococcus granulosus Nuclear hormone receptor HR96 0.0061 0.0442 0.0438
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0005
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0015 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0221 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.1546 0.1546
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.013 0.1167 0.1163
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.0767 0.6089
Schistosoma mansoni nuclear hormone receptor 0.013 0.1167 0.1567
Schistosoma mansoni hypothetical protein 0.0069 0.0523 0.0699
Brugia malayi nuclear hormone receptor family member odr-7 0.0061 0.0442 0.0438
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Loa Loa (eye worm) nuclear hormone receptor 0.0061 0.0442 0.0442
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0015 0.001
Echinococcus multilocularis snurportin 1 0.0322 0.3196 0.3193
Brugia malayi TAR-binding protein 0.0267 0.261 0.2606
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.052 0.0515
Schistosoma mansoni Tr4/Tr2 (homologue) 0.013 0.1167 0.1567
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0061 0.0442 0.0438
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0831 0.1114
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0034 0.0034
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0131 0.0126
Mycobacterium tuberculosis Probable reductase 0.0092 0.0767 0.6089
Schistosoma mansoni aldehyde dehydrogenase 0.0138 0.125 0.1679
Brugia malayi conserved hypotetical protein 0.0061 0.0442 0.0438
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.013 0.1167 0.1163
Brugia malayi Nuclear hormone receptor family member nhr-19 0.013 0.1167 0.1163
Brugia malayi Steroid receptor seven-up type 2 0.013 0.1167 0.1163
Loa Loa (eye worm) hypothetical protein 0.013 0.1167 0.1167
Echinococcus multilocularis survival motor neuron protein 1 0.0967 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.052 0.052
Schistosoma mansoni tar DNA-binding protein 0.0267 0.261 0.3513
Toxoplasma gondii thioredoxin reductase 0.004 0.0221 0.1666
Brugia malayi Nuclear hormone receptor family member nhr-25 0.013 0.1167 0.1163
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0061 0.0442 0.0438
Schistosoma mansoni nuclear receptor 0.0061 0.0442 0.059
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.1051 0.1046
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.013 0.1167 0.1163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0831 0.0827
Onchocerca volvulus 0.0061 0.0442 0.1779
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Echinococcus multilocularis nuclear receptor nhr 48 0.0061 0.0442 0.0438
Echinococcus granulosus tar DNA binding protein 0.0267 0.261 0.2606
Trichomonas vaginalis set domain proteins, putative 0.0253 0.2463 1
Loa Loa (eye worm) steroid hormone receptor 0.013 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0042 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0322 0.3196 0.4304
Loa Loa (eye worm) RNA binding protein 0.0267 0.261 0.261
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.013 0.1167 0.1163
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0138 0.125 0.1246
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0057 0.0052
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0138 0.125 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.013 0.1167 0.4727
Schistosoma mansoni coup transcription factor 0.013 0.1167 0.1567
Brugia malayi hypothetical protein 0.0069 0.052 0.0515
Onchocerca volvulus Bile acid receptor homolog 0.013 0.1167 0.4727
Brugia malayi steroid hormone receptor 0.013 0.1167 0.1163
Echinococcus granulosus survival motor neuron protein 1 0.0967 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0442 0.0442
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.013 0.1167 0.1567

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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 Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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