Detailed information for compound 1272928

Basic information

Technical information
  • TDR Targets ID: 1272928
  • Name: N-(2-methoxy-5-nitrophenyl)acridin-9-amine
  • MW: 345.351 | Formula: C20H15N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Nc1c2ccccc2nc2c1cccc2)[N+](=O)[O-]
  • InChi: 1S/C20H15N3O3/c1-26-19-11-10-13(23(24)25)12-18(19)22-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-12H,1H3,(H,21,22)
  • InChiKey: PKTDIPACDGKPJY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxy-5-nitro-phenyl)acridin-9-amine
  • N-(2-methoxy-5-nitrophenyl)-9-acridinamine
  • acridin-9-yl-(2-methoxy-5-nitro-phenyl)amine
  • SMR000497876
  • Acridin-9-yl-(2-methoxy-5-nitro-phenyl)-amine
  • ZINC00429746
  • MLS000974378

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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 NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni gliotactin 0.0072 0.1323 0.1323
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0082 0.0095
Loa Loa (eye worm) hypothetical protein 0.0036 0.0581 0.0671
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0968 0.0968
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0209 0.0209
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0224 0.0259
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0072 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Brugia malayi ecdysteroid receptor 0.0012 0.0082 0.0095
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0082 0.0082
Mycobacterium ulcerans carboxylesterase, LipT 0.0072 0.1323 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0586 0.0586
Schistosoma mansoni cpg binding protein 0.0035 0.0545 0.0545
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0112 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0968 0.0968
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Schistosoma mansoni hypothetical protein 0.0036 0.0581 0.0581
Brugia malayi MH2 domain containing protein 0.0018 0.0209 0.0241
Brugia malayi MH2 domain containing protein 0.0018 0.0209 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0082 0.0095
Onchocerca volvulus 0.0035 0.0545 0.0742
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0082 0.0082
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0224 0.0224
Echinococcus granulosus cpg binding protein 0.0037 0.0586 0.0586
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0082 0.0112
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0082 0.0082
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0458 1
Onchocerca volvulus 0.0072 0.1323 0.1801
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0082 0.0082
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0082 0.0112
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0082 0.0082
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0079 0.1451 0.1675
Echinococcus granulosus GPCR family 2 0.0036 0.0581 0.0581
Loa Loa (eye worm) hypothetical protein 0.0429 0.866 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0209 0.0209
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0082 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0082 0.0095
Brugia malayi MH1 domain containing protein 0.001 0.004 0.0046
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0072 0.1323 0.5
Brugia malayi Carboxylesterase family protein 0.0072 0.1323 0.1528
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0581 0.0671
Schistosoma mansoni neuroligin 3 (S09 family) 0.0072 0.1323 0.1323
Echinococcus multilocularis para nitrobenzyl esterase 0.0072 0.1323 0.1323
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0036 0.0581 0.0581
Echinococcus multilocularis cpg binding protein 0.0037 0.0586 0.0586
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0968 0.0968
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0036 0.0581 0.0581
Brugia malayi nuclear receptor NHR-88 0.0012 0.0082 0.0095
Loa Loa (eye worm) carboxylesterase 0.0429 0.866 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0072 0.1323 0.1323
Loa Loa (eye worm) acetylcholinesterase 1 0.0429 0.866 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0082 0.0082
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0082 0.0082
Brugia malayi Carboxylesterase family protein 0.0429 0.866 1
Schistosoma mansoni Smad4 0.0018 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.003 0.0458 0.0529
Echinococcus multilocularis geminin 0.0205 0.4044 0.4044
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0224 0.0224
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0968 0.1118
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1184 1
Echinococcus granulosus acetylcholinesterase 0.0429 0.866 0.866
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0082 0.0095
Brugia malayi Carboxylesterase family protein 0.0072 0.1323 0.1528
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0082 0.0095
Schistosoma mansoni acetylcholinesterase 0.0072 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Schistosoma mansoni hypothetical protein 0.0205 0.4044 0.4044
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.22 0.2541
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0008 0.0008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0082 0.0095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0082 0.0095
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0224 0.0224
Onchocerca volvulus 0.0072 0.1323 0.1801
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Loa Loa (eye worm) nuclear factor I 0.001 0.004 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Onchocerca volvulus 0.0072 0.1323 0.1801
Schistosoma mansoni smad 0.0018 0.0209 0.0209
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0581 0.0581
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0082 0.0082
Echinococcus granulosus acetylcholinesterase 0.0429 0.866 0.866
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0082 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0082 0.0095
Brugia malayi Smad1 0.0018 0.0209 0.0241
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0072 0.1323 0.1323
Echinococcus granulosus Smad4 0.0018 0.0209 0.0209
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0072 0.1323 0.1323
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0968 0.0968
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0581 0.0581
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0082 0.0095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0082 0.0095
Onchocerca volvulus 0.0365 0.7345 1
Loa Loa (eye worm) transcription factor SMAD2 0.0269 0.5377 0.6209
Echinococcus multilocularis carboxylesterase 5A 0.0429 0.866 0.866
Trichomonas vaginalis spcc417.12 protein, putative 0.0072 0.1323 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0082 0.0082
Mycobacterium tuberculosis Carboxylesterase LipT 0.0072 0.1323 1
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0581 0.0671
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0082 0.0095
Brugia malayi MH1 domain containing protein 0.0018 0.0209 0.0241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0082 0.0095
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0082 0.0095
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Leishmania major hypothetical protein, conserved 0.003 0.0458 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0209 0.0209
Brugia malayi isocitrate dehydrogenase 0.0019 0.0224 0.0259
Schistosoma mansoni smad1 5 8 and 0.0018 0.0209 0.0209
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0458 1
Echinococcus multilocularis neuroligin 0.0072 0.1323 0.1323
Brugia malayi MH1 domain containing protein 0.001 0.004 0.0046
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0082 0.0082
Echinococcus granulosus BC026374 protein S09 family 0.0072 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.001 0.004 0.0046
Brugia malayi MH2 domain containing protein 0.0269 0.5377 0.6209
Brugia malayi hypothetical protein 0.002 0.0236 0.0272
Brugia malayi steroid hormone receptor 0.0012 0.0082 0.0095
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0224 0.0224
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0082 0.0082
Loa Loa (eye worm) MH2 domain-containing protein 0.0269 0.5377 0.6209
Echinococcus multilocularis smad 0.0018 0.0209 0.0209
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0082 0.0112
Schistosoma mansoni hypothetical protein 0.0079 0.1451 0.1451
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0072 0.1323 0.1323
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0082 0.0082
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0224 0.0224
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0052 0.0052
Brugia malayi hypothetical protein 0.003 0.0458 0.0529
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0082 0.0095
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0458 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0082 0.0095
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0209 0.0209
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0082 0.0082
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0458 1
Loa Loa (eye worm) carboxylesterase 0.0072 0.1323 0.1528
Brugia malayi Carboxylesterase family protein 0.0072 0.1323 0.1528
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0082 0.0095
Onchocerca volvulus 0.0072 0.1323 0.1801
Schistosoma mansoni smad1 5 8 and 0.0018 0.0209 0.0209
Brugia malayi MH1 domain containing protein 0.0018 0.0209 0.0241
Loa Loa (eye worm) Smad1 0.0018 0.0209 0.0241
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.22 0.2541
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0082 0.0095
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0581 0.0581
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0008 0.0008
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0082 0.0082
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0082 0.0082
Brugia malayi Carboxylesterase family protein 0.0072 0.1323 0.1528
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0581 0.0671
Schistosoma mansoni BC026374 protein (S09 family) 0.0072 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0458 0.2436
Loa Loa (eye worm) hypothetical protein 0.0365 0.7345 0.8481
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0082 0.0082
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0082 0.0082
Onchocerca volvulus 0.0012 0.0082 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0082 0.0095
Echinococcus granulosus neuroligin 0.0072 0.1323 0.1323
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0082 0.0082
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0072 0.1323 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0082 0.0095
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0209 0.0241
Echinococcus granulosus carboxylesterase 5A 0.0429 0.866 0.866
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0082 0.0082
Brugia malayi hypothetical protein 0.0072 0.1323 0.1528
Brugia malayi nuclear hormone receptor 0.0012 0.0082 0.0095
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0082 0.0082
Brugia malayi CXXC zinc finger family protein 0.0035 0.0545 0.0629
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0581 0.0581
Loa Loa (eye worm) carboxylesterase 0.0072 0.1323 0.1528
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0082 0.0095
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0968 0.1118
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0458 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0082 0.0095
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0072 0.1323 0.1323
Echinococcus multilocularis acetylcholinesterase 0.0429 0.866 0.866
Brugia malayi hypothetical protein 0.0365 0.7345 0.8481
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0224 0.0259
Echinococcus multilocularis acetylcholinesterase 0.0429 0.866 0.866
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0082 0.0082
Echinococcus granulosus para nitrobenzyl esterase 0.0072 0.1323 0.1323
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1346 0.1346
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0082 0.0082
Schistosoma mansoni smad1 5 8 and 0.0018 0.0209 0.0209
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0224 0.0224
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0209 0.0241
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0209 0.0209
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.22 0.2541
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0968 0.0968
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0968 0.0968
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Echinococcus multilocularis Smad4 0.0018 0.0209 0.0209
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0036 0.0581 0.0581
Echinococcus multilocularis GPCR, family 2 0.0036 0.0581 0.0581
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0458 1
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.1451 0.1675
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0112 0.0112
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0115 0.22 0.2541
Loa Loa (eye worm) hypothetical protein 0.0429 0.866 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0545 0.0629
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0082 0.0095
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0082 0.0082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0968 0.0968
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0082 0.0095
Schistosoma mansoni hypothetical protein 0.0205 0.4044 0.4044
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0049 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0082 0.0095
Echinococcus granulosus geminin 0.0205 0.4044 0.4044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0082 0.0095
Onchocerca volvulus 0.0072 0.1323 0.1801
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0072 0.1323 0.1528
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0052 0.006
Brugia malayi Carboxylesterase family protein 0.0429 0.866 1
Schistosoma mansoni cpg binding protein 0.0037 0.0586 0.0586
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0072 0.1323 1
Echinococcus granulosus smad 0.0018 0.0209 0.0209
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0082 0.0082
Schistosoma mansoni coup transcription factor 0.0012 0.0082 0.0082
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0429 0.866 0.866
Schistosoma mansoni hypothetical protein 0.0014 0.0112 0.0112

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 59.645 uM PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for activators of the GAA850 frataxin (FXN) promoter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540364, AID588328, AID588350, AID588351] ChEMBL. No reference
EC50 (functional) > 59.645 uM PUBCHEM_BIOASSAY: Counterscreen for activators of the GAA850 frataxin promoter: luminescence-based cell-based high throughput dose response assay to identify activators of the GAA30 frataxin promoter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540364, AID588328, AID588350, AID588351] ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.3587 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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