Detailed information for compound 568662

Basic information

Technical information
  • TDR Targets ID: 568662
  • Name: 18495-69-7
  • MW: 160.103 | Formula: C7H5NaO3
  • H donors: 1 H acceptors: 3 LogP: 2.29 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]C(=O)c1ccccc1O.[Na+]
  • InChi: 1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
  • InChiKey: ABBQHOQBGMUPJH-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 2-Hydroxybenzoic acid sodium salt
  • 2-HYDROXYBENZOIC ACID, MONOSODIUM SALT
  • 2-Hydroxybenzoic acid monosodium salt
  • 31493_RIEDEL
  • 54-21-7
  • 71945_FLUKA
  • 94413-51-1
  • Alysine
  • Aroall
  • Benzoic acid, 2-hydroxy-, monosodium salt
  • CCRIS 6715
  • Clin
  • Corilin
  • D00566
  • Diuretin
  • EINECS 200-198-0
  • Enterosalicyl
  • Enterosalil
  • Entrosalyl
  • Glutosalyl
  • Idocyl novum
  • KBio3_001820
  • KBioGR_001429
  • Kerasalicyl
  • Kerosal
  • Magsalyl
  • Monosodium 2-hydroxybenzoate
  • Monosodium salicylate
  • Nadisal
  • NaSal
  • Natium salicylicum
  • Natrium salicylat [German]
  • NCGC00094780-02
  • NCGC00094780-01
  • Neo-salicyl
  • NSC 202167
  • o-Hydroxybenzoic acid monosodium salt
  • Pabalate
  • Parbocyl-rev
  • S2679_SIGMA
  • S3007_SIGMA
  • Salicylic Acid
  • Salicylic acid, monosodium salt
  • Salicylic acid, sodium salt
  • Salicylic Acid, Na
  • Salicylic acid Na+
  • Salicylic acid sodium salt
  • Salisod
  • Salsonin
  • Salsonin (TN)
  • sodium 2-carboxyphenolate
  • sodium 2-hydroxybenzoate
  • Sodium o-hydroxybenzoate
  • sodium salicylate
  • Sodium Salicylate [USAN]
  • Sodium salicylate (JP15/USP)
  • SPBio_002009
  • SPECTRUM1500533
  • Spectrum2_001945
  • Spectrum3_000900
  • Spectrum4_000995
  • Spectrum5_001120
  • ST5406592

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 hypothetical protein 0.0107 0.1142 0.1142
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0647 0.0647
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0434 0.0434
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Schistosoma mansoni tar DNA-binding protein 0.0275 0.3346 0.3346
Schistosoma mansoni hypothetical protein 0.0353 0.437 0.437
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0283 0.0283
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.1139 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0089 0.0905 0.0905
Entamoeba histolytica hypothetical protein 0.004 0.0267 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0292 0.0292
Echinococcus granulosus GPCR family 2 0.0052 0.0429 0.0429
Brugia malayi TAR-binding protein 0.0275 0.3346 0.4982
Loa Loa (eye worm) steroid hormone receptor 0.0089 0.0905 0.1359
Loa Loa (eye worm) hypothetical protein 0.0047 0.0355 0.0525
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0089 0.0905 0.1214
Schistosoma mansoni bromodomain containing protein 0.0072 0.0693 0.0693
Brugia malayi hypothetical protein 0.0042 0.0292 0.0268
Leishmania major trypanothione reductase 0.0042 0.0294 0.3651
Onchocerca volvulus Bile acid receptor homolog 0.0089 0.0905 0.2412
Schistosoma mansoni hypothetical protein 0.0113 0.1223 0.1223
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0042 0.0292 0.0292
Onchocerca volvulus 0.0107 0.1142 0.32
Brugia malayi conserved hypotetical protein 0.0042 0.0292 0.0268
Entamoeba histolytica hypothetical protein 0.004 0.0267 1
Loa Loa (eye worm) TAR-binding protein 0.0275 0.3346 0.5065
Echinococcus multilocularis GPCR, family 2 0.0052 0.0429 0.0429
Brugia malayi hypothetical protein 0.0047 0.0357 0.0369
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0089 0.0905 0.0905
Schistosoma mansoni hypothetical protein 0.0353 0.437 0.437
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.111 0.111
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0042 0.0292 0.0292
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.0647 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0089 0.0905 0.1214
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0042 0.0292 0.0292
Echinococcus granulosus survival motor neuron protein 1 0.0523 0.6596 0.6596
Brugia malayi nuclear hormone receptor family member nhr-6 0.0042 0.0292 0.0268
Schistosoma mansoni thyroid hormone receptor 0.0089 0.0905 0.0905
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0089 0.0905 0.1214
Schistosoma mansoni nuclear receptor nhr-48 0.0042 0.0292 0.0292
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0165 0.1907 0.2762
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0104 0.111 0.1671
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0294 1
Brugia malayi nuclear receptor NHR-88 0.0089 0.0905 0.1214
Brugia malayi nuclear receptor NHR-67 0.0042 0.0292 0.0268
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0178 0.0118
Schistosoma mansoni survival motor neuron protein 0.0107 0.1142 0.1142
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0089 0.0905 0.0905
Loa Loa (eye worm) transcription factor SMAD2 0.0252 0.3042 0.4604
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.111 0.111
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0429 0.0429
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0248
Loa Loa (eye worm) nuclear receptor NHR-67 0.0042 0.0292 0.0429
Brugia malayi Bromodomain containing protein 0.0086 0.0869 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0089 0.0905 0.1214
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0429 0.0429
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0647 0.5
Brugia malayi nuclear hormone receptor 0.0089 0.0905 0.1214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0089 0.0905 0.1359
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0089 0.0905 0.2412
Schistosoma mansoni hypothetical protein 0.0024 0.0054 0.0054
Echinococcus granulosus neuropeptide receptor 0.0179 0.2094 0.2094
Brugia malayi nuclear hormone receptor family member odr-7 0.0042 0.0292 0.0268
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0089 0.0905 0.0905
Onchocerca volvulus 0.0171 0.199 0.6018
Echinococcus granulosus thyroid hormone receptor alpha 0.0042 0.0292 0.0292
Schistosoma mansoni nuclear receptor 0.0042 0.0292 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0089 0.0905 0.1214
Echinococcus multilocularis survival motor neuron protein 1 0.0523 0.6596 0.6596
Loa Loa (eye worm) hypothetical protein 0.0047 0.0357 0.0528
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0089 0.0905 0.1214
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0107 0.1142 0.1581
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0294 0.0433
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0349 0.4319 0.6543
Loa Loa (eye worm) hypothetical protein 0.0047 0.0357 0.0528
Loa Loa (eye worm) hypothetical protein 0.0053 0.0434 0.0645
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0089 0.0905 0.0905
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0047 0.0357 0.0357
Onchocerca volvulus 0.0263 0.3189 1
Echinococcus granulosus snurportin 1 0.0349 0.4319 0.4319
Echinococcus granulosus tar DNA binding protein 0.0275 0.3346 0.3346
Schistosoma mansoni nuclear receptor 0.0042 0.0292 0.0292
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.064 0.064
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0434 0.0434
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Schistosoma mansoni importin beta-1 0.0033 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Schistosoma mansoni coup transcription factor 0.0089 0.0905 0.0905
Brugia malayi ecdysteroid receptor 0.0089 0.0905 0.1214
Trichomonas vaginalis set domain proteins, putative 0.0263 0.3189 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0089 0.0905 0.0905
Brugia malayi steroid hormone receptor 0.0089 0.0905 0.1214
Brugia malayi Steroid receptor seven-up type 2 0.0089 0.0905 0.1214
Schistosoma mansoni hypothetical protein 0.004 0.0267 0.0267
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0267 0.0267
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0089 0.0905 0.0905
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.111 0.111
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0089 0.0905 0.0905
Echinococcus granulosus ecdysone induced protein 78C 0.0089 0.0905 0.0905
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0267 0.0267
Echinococcus multilocularis neuropeptide receptor 0.0179 0.2094 0.2094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0089 0.0905 0.0905
Brugia malayi Pre-SET motif family protein 0.0231 0.2771 0.4095
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0292 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0089 0.0905 0.1214
Brugia malayi Thioredoxin reductase 0.0042 0.0294 0.0272
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0096 0.0999 0.8342
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0429 0.0429
Schistosoma mansoni hypothetical protein 0.0052 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0523 0.6596 1
Schistosoma mansoni hypothetical protein 0.0052 0.0429 0.0429
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0089 0.0905 0.0905
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0089 0.0905 0.0905
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0429 0.048
Loa Loa (eye worm) hypothetical protein 0.0049 0.0384 0.0569
Plasmodium vivax SET domain protein, putative 0.0033 0.0178 0.0458
Schistosoma mansoni hypothetical protein 0.0052 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0047 0.0357 0.0528
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.2771 0.4192
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0429 0.048
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0047 0.0357 0.0357
Brugia malayi RNA binding protein 0.0275 0.3346 0.4982
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0047 0.0357 0.0357
Loa Loa (eye worm) glutathione reductase 0.0042 0.0294 0.0433
Brugia malayi Nuclear hormone receptor E75 0.0042 0.0292 0.0268
Echinococcus granulosus Nuclear hormone receptor HR96 0.0042 0.0292 0.0292
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0082 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.111 0.111
Brugia malayi RNA, U transporter 1 0.0093 0.0963 0.1304
Brugia malayi Nuclear hormone receptor-like 1 0.0089 0.0905 0.1214
Loa Loa (eye worm) hypothetical protein 0.0052 0.0429 0.0637
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0089 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0178 0.0178
Brugia malayi tailless protein 0.0042 0.0292 0.0268
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0042 0.0292 0.0376
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0054 0.0068
Loa Loa (eye worm) hypothetical protein 0.0047 0.0357 0.0528
Echinococcus multilocularis tar DNA binding protein 0.0275 0.3346 0.3346
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0089 0.0905 0.1214
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0089 0.0905 0.0905
Brugia malayi MH2 domain containing protein 0.0252 0.3042 0.4513
Schistosoma mansoni steroid hormone receptor ad4bp 0.0089 0.0905 0.0905
Schistosoma mansoni tar DNA-binding protein 0.0275 0.3346 0.3346
Schistosoma mansoni zinc finger protein 0.0042 0.0292 0.0292
Plasmodium falciparum glutathione reductase 0.0042 0.0294 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0042 0.0292 0.0292
Echinococcus multilocularis microtubule associated protein 2 0.0783 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0042 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0089 0.0905 0.1214
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0082 0.0082
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0042 0.0292 0.0292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0089 0.0905 0.1359
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.0357 0.0369
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0089 0.0905 0.0905
Brugia malayi Pre-SET motif family protein 0.0033 0.0178 0.0093
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0089 0.0905 0.0905
Loa Loa (eye worm) DR-78 0.0042 0.0292 0.0429
Schistosoma mansoni microtubule-associated protein tau 0.0783 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.111 0.111
Brugia malayi nuclear receptor NHR-88 0.0042 0.0292 0.0268
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Brugia malayi hypothetical protein 0.0042 0.0292 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0275 0.3346 0.3346
Loa Loa (eye worm) hypothetical protein 0.0113 0.1223 0.1842
Mycobacterium tuberculosis Probable dehydrogenase 0.0096 0.0999 0.8342
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0047 0.0357 0.0528
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0042 0.0292 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0089 0.0905 0.1214
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Entamoeba histolytica hypothetical protein 0.004 0.0267 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0647 0.0647
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0292 0.0292
Brugia malayi glutathione reductase 0.0042 0.0294 0.0272
Brugia malayi RNA recognition motif domain containing protein 0.0275 0.3346 0.4982
Schistosoma mansoni zinc finger protein 0.0022 0.0038 0.0038
Echinococcus multilocularis G protein coupled receptor 139 0.0179 0.2094 0.2094
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0096 0.0999 0.8342
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0042 0.0292 0.0292
Echinococcus multilocularis snurportin 1 0.0349 0.4319 0.4319
Schistosoma mansoni RAR-like nuclear receptor 0.0089 0.0905 0.0905
Schistosoma mansoni tar DNA-binding protein 0.0275 0.3346 0.3346
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0082 0.0082
Echinococcus multilocularis thyroid hormone receptor alpha 0.0089 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Echinococcus granulosus geminin 0.0353 0.437 0.437
Loa Loa (eye worm) hypothetical protein 0.0165 0.1907 0.2881
Plasmodium falciparum thioredoxin reductase 0.0042 0.0294 1
Entamoeba histolytica hypothetical protein 0.004 0.0267 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0292 0.0292
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0042 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Echinococcus granulosus FTZ F1 alpha 0.0089 0.0905 0.0905
Brugia malayi Calcitonin receptor-like protein seb-1 0.0165 0.1907 0.2762
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Mycobacterium tuberculosis Probable reductase 0.0096 0.0999 0.8342
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0089 0.0905 0.1214
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0173 0.0173
Brugia malayi nuclear receptor RXR 0.0047 0.0357 0.0369
Loa Loa (eye worm) hypothetical protein 0.0047 0.0357 0.0528
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0089 0.0905 0.0905
Echinococcus multilocularis geminin 0.0353 0.437 0.437
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0647 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0647 0.4171
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0267 0.0267
Schistosoma mansoni retinoic acid receptor RXR 0.0089 0.0905 0.0905
Onchocerca volvulus Protein ultraspiracle homolog 0.0089 0.0905 0.2412
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Schistosoma mansoni thyroid hormone receptor 0.0089 0.0905 0.0905
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0089 0.0905 0.1359
Brugia malayi ecdysone receptor 0.0042 0.0292 0.0268
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0089 0.0905 0.0905
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0042 0.0292 0.0376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0089 0.0905 0.1359
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0106 0.1139 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0104 0.111 0.1532
Schistosoma mansoni hypothetical protein 0.0052 0.0429 0.0429
Echinococcus multilocularis FTZ F1 alpha 0.0089 0.0905 0.0905
Echinococcus granulosus importin subunit beta 1 0.0033 0.0173 0.0173
Onchocerca volvulus 0.0089 0.0905 0.2412
Loa Loa (eye worm) nuclear hormone receptor 0.0042 0.0292 0.0429
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0089 0.0905 0.0905
Onchocerca volvulus 0.0042 0.0292 0.0376
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0106 0.1139 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0647 1
Brugia malayi orphan nuclear receptor NR2E1 0.0042 0.0292 0.0268
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Brugia malayi Bromodomain containing protein 0.0044 0.0319 0.031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0275 0.3346 0.5065
Loa Loa (eye worm) MH2 domain-containing protein 0.0252 0.3042 0.4604
Brugia malayi hypothetical protein 0.0047 0.0357 0.0369
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0047 0.0357 0.0357
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0429 0.0637
Onchocerca volvulus 0.0042 0.0292 0.0376
Echinococcus granulosus nuclear receptor nhr 48 0.0042 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Loa Loa (eye worm) hypothetical protein 0.0081 0.0805 0.1208
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0089 0.0905 0.1214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.111 0.111
Trypanosoma brucei trypanothione reductase 0.0042 0.0294 1
Brugia malayi nuclear hormone receptor 0.0042 0.0292 0.0268
Brugia malayi hypothetical protein 0.0523 0.6596 1
Loa Loa (eye worm) RNA binding protein 0.0275 0.3346 0.5065
Schistosoma mansoni hypothetical protein 0.0349 0.4319 0.4319
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0302 0.0302
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0165 0.1907 0.2881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0647 0.5
Brugia malayi nuclear receptor RXR 0.0042 0.0292 0.0268
Echinococcus granulosus zinc finger protein 0.0022 0.0038 0.0038
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0096 0.0999 0.8342
Loa Loa (eye worm) hypothetical protein 0.0089 0.0905 0.1359
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0106 0.1139 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0173 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0275 0.3346 0.3346
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0429 0.0429
Brugia malayi hypothetical protein 0.004 0.0267 0.0231
Brugia malayi hypothetical protein 0.0171 0.199 0.289
Echinococcus multilocularis zinc finger protein 0.0022 0.0038 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0089 0.0905 0.1359
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0042 0.0292 0.0268
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0178 0.0178
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0096 0.0999 0.8342
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0089 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0042 0.0292 0.0429
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.111 0.111
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0089 0.0905 0.1214
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0089 0.0905 0.0905
Toxoplasma gondii thioredoxin reductase 0.0042 0.0294 0.2565
Loa Loa (eye worm) hypothetical protein 0.0044 0.032 0.0471
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0089 0.0905 0.1359
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0647 0.0647
Brugia malayi Nuclear hormone receptor E75 0.0042 0.0292 0.0268
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0283 0.0283
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0042 0.0292 0.0292
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.064 0.064
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.0357 0.0369
Loa Loa (eye worm) hypothetical protein 0.0171 0.199 0.3007
Plasmodium vivax glutathione reductase, putative 0.0042 0.0294 1
Schistosoma mansoni neuropeptide receptor 0.0179 0.2094 0.2094
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0089 0.0905 0.1214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0089 0.0905 0.1359
Brugia malayi latrophilin 2 splice variant baaae 0.0113 0.1223 0.1705
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0294 1
Schistosoma mansoni nuclear hormone receptor 0.0089 0.0905 0.0905

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 55.27705666 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 80.8276253 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
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) = 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 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

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

18 literature references were collected for this gene.

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