Detailed information for compound 1293102

Basic information

Technical information
  • TDR Targets ID: 1293102
  • Name: 5-(2,5-dimethoxyphenyl)-2,4-bis[(2-methylprop an-2-yl)oxy]pyrimidine
  • MW: 360.447 | Formula: C20H28N2O4
  • H donors: 0 H acceptors: 2 LogP: 4.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1c1cnc(nc1OC(C)(C)C)OC(C)(C)C)OC
  • InChi: 1S/C20H28N2O4/c1-19(2,3)25-17-15(12-21-18(22-17)26-20(4,5)6)14-11-13(23-7)9-10-16(14)24-8/h9-12H,1-8H3
  • InChiKey: OHTLJXYBSOWPHN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-ditert-butoxy-5-(2,5-dimethoxyphenyl)pyrimidine
  • MLS000700760
  • SMR000226714
  • AI-942/42301999
  • ZINC00984500

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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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 multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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 hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Theileria parva isocitrate dehydrogenase (NADP+), 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative 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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii isocitrate dehydrogenase 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Leishmania mexicana 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
Loa Loa (eye worm) 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
Echinococcus multilocularis isocitrate dehydrogenase 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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 congolense isocitrate dehydrogenase, putative 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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Brugia malayi 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
Leishmania braziliensis 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 MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0148 0.0132
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0288 0.0273
Brugia malayi ecdysteroid receptor 0.0012 0.0148 0.0242
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0148 0.0132
Loa Loa (eye worm) hypothetical protein 0.006 0.1129 0.1955
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0148 0.0242
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0148 0.0132
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0148 0.0242
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1089 0.1885
Brugia malayi hypothetical protein 0.0006 0.0016 0.0012
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0099 0.0157
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1403 0.1403
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.003 0.0036
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Brugia malayi orphan nuclear receptor NR2E1 0.0006 0.0016 0.0012
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0288 0.0486
Brugia malayi isocitrate dehydrogenase 0.0019 0.0288 0.0487
Echinococcus multilocularis geminin 0.0205 0.4083 0.4074
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0099 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0148 0.0242
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0148 0.0242
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0288 0.0273
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0288 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0148 0.0148
Brugia malayi hypothetical protein 0.0182 0.363 0.632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1129 0.1955
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1028 0.1778
Schistosoma mansoni smad1 5 8 and 0.001 0.0099 0.0099
Onchocerca volvulus 0.0058 0.1089 0.297
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5738 0.5732
Brugia malayi nuclear hormone receptor family member odr-7 0.0006 0.0016 0.0012
Schistosoma mansoni smad1 5 8 and 0.001 0.0099 0.0099
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0148 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0148 0.0242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0148 0.0242
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0148 0.0365
Brugia malayi CXXC zinc finger family protein 0.0035 0.0608 0.1044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0272
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1242 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0288 0.0273
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0006 0.0016 0.0012
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0148 0.0148
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0059
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2847 0.4953
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.0036
Schistosoma mansoni smad 0.001 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0041 0.074 0.1275
Brugia malayi hypothetical protein 0.0006 0.003 0.0036
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0288 0.5
Schistosoma mansoni nuclear receptor 0.0006 0.0016 0.0016
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.0036
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0058 0.1089 0.1089
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Echinococcus multilocularis Smad4 0.001 0.0099 0.0083
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0288 0.0487
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0148 0.0242
Echinococcus granulosus geminin 0.0205 0.4083 0.4074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0074 0.0074
Brugia malayi nuclear receptor RXR 0.0006 0.003 0.0036
Brugia malayi hypothetical protein 0.0286 0.5738 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0148 0.0148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0148 0.0132
Echinococcus granulosus smad 0.001 0.0099 0.0083
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0148 0.0148
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0288 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0148 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0148 0.0242
Schistosoma mansoni Smad4 0.001 0.0099 0.0099
Trichomonas vaginalis helicase, putative 0.0008 0.0059 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0148 0.0242
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0288 0.0288
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1129 0.1955
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0608 0.1044
Echinococcus granulosus cpg binding protein 0.0037 0.0648 0.0633
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5738 0.5732
Loa Loa (eye worm) nuclear receptor NHR-67 0.0006 0.0016 0.0012
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0059
Brugia malayi nuclear hormone receptor 0.0006 0.0016 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1028 0.1014
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0288 0.0486
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1028 0.1778
Echinococcus granulosus GPCR family 2 0.0019 0.0288 0.0272
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Schistosoma mansoni hypothetical protein 0.0205 0.4083 0.4083
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.003 0.0036
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0118 0.0189
Brugia malayi nuclear receptor RXR 0.0006 0.0016 0.0012
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0102
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0006 0.0016 0.0012
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0288 0.0273
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0099 0.0083
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0148 0.0148
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0148 0.0132
Brugia malayi hypothetical protein 0.0006 0.0016 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0288 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0608 0.0608
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0288 0.0487
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0016 0.0012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0016 0.0016
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0288 0.0272
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Schistosoma mansoni smad1 5 8 and 0.001 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0074 0.0059
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0148 0.0132
Loa Loa (eye worm) Smad1 0.001 0.0099 0.0157
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1028 0.1014
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0016 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0148 0.0242
Brugia malayi nuclear receptor NHR-67 0.0006 0.0016 0.0012
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0148 0.0242
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0099 0.0083
Loa Loa (eye worm) hypothetical protein 0.0182 0.363 0.632
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1129 0.1955
Brugia malayi MH2 domain containing protein 0.001 0.0099 0.0157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1028 0.1028
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0148 0.0132
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0148 0.0148
Schistosoma mansoni survival motor neuron protein 0.0058 0.1089 0.1089
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0148 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0148 0.0242
Brugia malayi tailless protein 0.0006 0.0016 0.0012
Brugia malayi MH1 domain containing protein 0.001 0.0099 0.0157
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0272
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0148 0.0242
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0288 0.0273
Brugia malayi conserved hypotetical protein 0.0006 0.0016 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0148 0.0242
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Brugia malayi ecdysone receptor 0.0006 0.0016 0.0012
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0148 0.0132
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0148 0.0242
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0148 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0115 0.0184
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0288 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0288 0.0486
Onchocerca volvulus 0.0182 0.363 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0099 0.0083
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.0036
Onchocerca volvulus 0.0035 0.0608 0.1637
Brugia malayi nuclear receptor NHR-88 0.0012 0.0148 0.0242
Echinococcus granulosus Smad4 0.001 0.0099 0.0083
Brugia malayi nuclear receptor NHR-88 0.0006 0.0016 0.0012
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0288 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0099 0.0157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1028 0.1028
Schistosoma mansoni hypothetical protein 0.0041 0.074 0.074
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0148 0.0148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0148 0.0132
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0099 0.0157
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Brugia malayi nuclear hormone receptor family member nhr-6 0.0006 0.0016 0.0012
Schistosoma mansoni coup transcription factor 0.0012 0.0148 0.0148
Echinococcus multilocularis GPCR, family 2 0.0019 0.0288 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Loa Loa (eye worm) hypothetical protein 0.0019 0.0288 0.0486
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0148 0.0242
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0288 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0148 0.0132
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0288 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0148 0.0242
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0148 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0148 0.0242
Schistosoma mansoni zinc finger protein 0.0006 0.0016 0.0016
Brugia malayi MH2 domain containing protein 0.0144 0.2847 0.4953
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0288 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.003 0.0014
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.003 0.0036
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0148 0.0365
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.0036
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0148 0.0242
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.003 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0148 0.0132
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0148 0.0132
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0016 0.0016
Brugia malayi Smad1 0.001 0.0099 0.0157
Brugia malayi MH1 domain containing protein 0.001 0.0099 0.0157
Brugia malayi hypothetical protein 0.0006 0.003 0.0036
Echinococcus multilocularis cpg binding protein 0.0037 0.0648 0.0633
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2847 0.4953
Loa Loa (eye worm) hypothetical protein 0.0286 0.5738 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1028 0.1014
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0288 0.0273
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.074 0.1275
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0016 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0148 0.0242
Echinococcus multilocularis smad 0.001 0.0099 0.0083
Brugia malayi steroid hormone receptor 0.0012 0.0148 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0148 0.0242
Onchocerca volvulus 0.0012 0.0148 0.0365
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0148 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0148 0.0242
Loa Loa (eye worm) nuclear hormone receptor 0.0006 0.0016 0.0012
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0148 0.0132
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0016 0.0016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1028 0.1028
Schistosoma mansoni hypothetical protein 0.0205 0.4083 0.4083
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0148 0.0365
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0148 0.0132
Loa Loa (eye worm) DR-78 0.0006 0.0016 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Schistosoma mansoni nuclear receptor 0.0006 0.0016 0.0016
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0016 0.0016
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0102
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0012
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0074 0.0059
Loa Loa (eye worm) hypothetical protein 0.0006 0.003 0.0036
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.003 0.0014
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0148 0.0132
Brugia malayi nuclear hormone receptor 0.0012 0.0148 0.0242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1028 0.1014
Loa Loa (eye worm) hypothetical protein 0.0012 0.0148 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0148 0.0242
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0148 0.0242

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 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) 3.2643 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) 10 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) 10.3225 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) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 16.3601 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) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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