Detailed information for compound 1427892

Basic information

Technical information
  • TDR Targets ID: 1427892
  • Name: 1-[2-(3-methoxyphenyl)-5-phenylpyrazolo[5,1-b ]pyrimidin-7-yl]piperidin-3-ol
  • MW: 400.473 | Formula: C24H24N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1nn2c(c1)nc(cc2N1CCCC(C1)O)c1ccccc1
  • InChi: 1S/C24H24N4O2/c1-30-20-11-5-9-18(13-20)22-14-23-25-21(17-7-3-2-4-8-17)15-24(28(23)26-22)27-12-6-10-19(29)16-27/h2-5,7-9,11,13-15,19,29H,6,10,12,16H2,1H3
  • InChiKey: FDQCFFYFJWQIFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(3-methoxyphenyl)-5-phenyl-pyrazolo[5,1-b]pyrimidin-7-yl]piperidin-3-ol
  • 1-[2-(3-methoxyphenyl)-5-phenyl-7-pyrazolo[5,1-b]pyrimidinyl]-3-piperidinol
  • 1-[2-(3-Methoxy-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperidin-3-ol
  • ASN 08736542
  • MLS000708643
  • SMR000289210

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Schistosoma mansoni cpg binding protein 0.0037 0.0191 0.0191
Brugia malayi CXXC zinc finger family protein 0.0035 0.0177 0.1026
Schistosoma mansoni fad oxidoreductase 0.0118 0.0769 0.0769
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0066 0.0381
Leishmania major hypothetical protein, conserved 0.0118 0.0769 1
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0066
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0241 0.1013
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0241 0.2693
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.133 0.1928
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0358 0.2079
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0118 0.0769 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0066
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.2673
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0046 0.0266
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0118 0.0769 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0118 0.0769 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0001 0.0001
Echinococcus granulosus cpg binding protein 0.0037 0.0191 0.0326
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0241 0.0241
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0241 0.1013
Trypanosoma brucei glucosidase, putative 0.0044 0.0241 0.2693
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0241 0.0411
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6897 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0241 0.1013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0066 0.0112
Brugia malayi Pre-SET motif family protein 0.0037 0.0192 0.1114
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0118 0.0769 0.376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0192 0.0192
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0118 0.0769 0.4465
Loa Loa (eye worm) hypothetical protein 0.0037 0.0192 0.0192
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0241 0.2693
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0407 0.3723
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0118 0.0769 0.0769
Onchocerca volvulus 0.0035 0.0177 0.0681
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0118 0.0769 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.1415 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.2673
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.3903 0.5659
Chlamydia trachomatis D-amino acid dehydrogenase 0.0118 0.0769 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0956 0.0956
Loa Loa (eye worm) hypothetical protein 0.0118 0.0769 0.0769
Schistosoma mansoni d-amino acid oxidase 0.1415 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0046 0.0046
Brugia malayi MH2 domain containing protein 0.0144 0.0956 0.5545
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.133 0.7716
Brugia malayi RE18450p 0.0118 0.0769 0.4465
Schistosoma mansoni alpha-glucosidase 0.0169 0.1135 0.1135
Schistosoma mansoni hypothetical protein 0.0494 0.3444 0.3444
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0118 0.0769 1
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0118 0.0769 0.4465
Loa Loa (eye worm) hypothetical protein 0.0041 0.0223 0.0223
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.2673
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0177 0.0302
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.133 0.1928
Onchocerca volvulus Putative fad oxidoreductase 0.0118 0.0769 0.376
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0118 0.0769 0.0769
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0192 0.0192
Onchocerca volvulus 0.0287 0.1971 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0066 0.0066
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0118 0.0769 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3444 0.4994
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1724 0.1724
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0241 0.1397
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0118 0.0769 1
Toxoplasma gondii hypothetical protein 0.0118 0.0769 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0118 0.0769 1
Onchocerca volvulus 0.0037 0.0192 0.0759
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0118 0.0769 0.0769
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0241 0.1013
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0358 0.2079
Loa Loa (eye worm) hypothetical protein 0.006 0.0358 0.0358
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0192 0.0278
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0016 0.0027
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0223 0.1293
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0016 0.0023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0239 0.0408
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0066 0.0066
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0118 0.0769 1
Onchocerca volvulus 0.0114 0.074 0.3605
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0956 0.0956
Echinococcus multilocularis geminin 0.0205 0.1386 0.201
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0066 0.0095
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0241 0.2693
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.133 0.227
Brugia malayi cDNA sequence BC016226 0.0118 0.0769 0.4465
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0066 0.0095
Schistosoma mansoni hypothetical protein 0.0205 0.1386 0.1386
Schistosoma mansoni fad oxidoreductase 0.0118 0.0769 0.0769
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0118 0.0769 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0192 0.0278
Schistosoma mansoni hypothetical protein 0.0205 0.1386 0.1386
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0241 0.2693
Entamoeba histolytica hypothetical protein 0.0043 0.0239 0.2673
Schistosoma mansoni cpg binding protein 0.0037 0.0191 0.0191
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.133 0.133
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0241 0.1013
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0118 0.0769 0.1313
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5859 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0066 0.0381
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0001 0.0001
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0241 0.1013
Echinococcus multilocularis GPCR, family 2 0.0019 0.0066 0.0095
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0118 0.0769 1
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0118 0.0769 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0118 0.0769 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0241 0.0844
Loa Loa (eye worm) hypothetical protein 0.0118 0.0769 0.0769
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0241 0.1013
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0015 0.0087
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5859 0.5859
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0118 0.0769 0.1116
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0118 0.0769 0.1116
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0118 0.0769 1
Schistosoma mansoni hypothetical protein 0.0041 0.0223 0.0223
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0118 0.0769 0.1313
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0463 0.0463
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1971 1
Brugia malayi Pre-SET motif family protein 0.0252 0.1724 1
Brugia malayi hypothetical protein 0.0043 0.0239 0.1388
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0016 0.0016
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.3903 0.6662
Schistosoma mansoni NAD dehydrogenase 0.0118 0.0769 0.0769
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0066 0.0112
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0192 0.0192
Schistosoma mansoni hypothetical protein 0.0043 0.0239 0.0239
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0239 0.0239
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0118 0.0769 0.376
Leishmania major hypothetical protein, conserved 0.0118 0.0769 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0358 0.0358
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0241 0.1013
Echinococcus granulosus GPCR family 2 0.0019 0.0066 0.0112
Schistosoma mansoni alpha glucosidase 0.0044 0.0241 0.0241
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0118 0.0769 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0239 0.0347
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0241 0.1013
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0118 0.0769 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3444 0.5879
Loa Loa (eye worm) hypothetical protein 0.0118 0.0769 0.0769
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5859 0.8495
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.3903 0.5659
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0118 0.0769 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0241 0.2693
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0001 0.0001
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0192 0.0328
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0192 0.0192
Schistosoma mansoni alpha-glucosidase 0.0169 0.1135 0.1135
Mycobacterium ulcerans D-amino acid oxidase Aao 0.1415 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0066
Echinococcus multilocularis cpg binding protein 0.0037 0.0191 0.0277
Echinococcus granulosus neuropeptide s receptor 0.0558 0.3903 0.6662
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1297 0.9161 1
Echinococcus granulosus geminin 0.0205 0.1386 0.2366
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0066
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0118 0.0769 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0241 0.0349
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0177 0.0177
Schistosoma mansoni cpg binding protein 0.0035 0.0177 0.0177
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0001 0.0001
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0118 0.0769 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 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 Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 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) 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 TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.581 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) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 18.3564 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) 19.9526 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) 22.3872 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (binding) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Saccharomyces cerevisiae 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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