Detailed information for compound 1443737

Basic information

Technical information
  • TDR Targets ID: 1443737
  • Name: 4-(6b,9a-dihydroacenaphtho[1,2-d][1,3]oxazol- 9(8H)-yl)phenyl methyl ether
  • MW: 303.354 | Formula: C20H17NO2
  • H donors: 0 H acceptors: 0 LogP: 4.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1COC2C1c1cccc3c1c2ccc3
  • InChi: 1S/C20H17NO2/c1-22-15-10-8-14(9-11-15)21-12-23-20-17-7-3-5-13-4-2-6-16(18(13)17)19(20)21/h2-11,19-20H,12H2,1H3
  • InChiKey: BYQXURRZEZYMMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000547099
  • SMR000115751
  • AQ-344/43100130

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0009 0.0009
Onchocerca volvulus Putative fad oxidoreductase 0.0337 0.0759 1
Schistosoma mansoni fad oxidoreductase 0.0337 0.0759 0.0759
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0337 0.0759 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0109 0.0109
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0102 0.1337
Brugia malayi TAR-binding protein 0.0076 0.0109 0.1442
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0009 0.0009
Brugia malayi CHE-14 protein 0.0051 0.0046 0.0606
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0337 0.0759 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0337 0.0759 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.0215 0.0215
Brugia malayi RE18450p 0.0337 0.0759 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0009 0.0009
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0337 0.0759 1
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0337 0.0759 1
Schistosoma mansoni patched 1 0.0051 0.0046 0.0046
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0337 0.0759 0.0664
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0337 0.0759 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0005 0.0071
Schistosoma mansoni NAD dehydrogenase 0.0337 0.0759 0.0759
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0337 0.0759 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.4047 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0109 0.1442
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0337 0.0759 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0287 0.0287
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0046 0.0606
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0148 0.0287 0.0287
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0337 0.0759 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0337 0.0759 0.5
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.3709 0.916 1
Toxoplasma gondii hypothetical protein 0.0337 0.0759 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0337 0.0759 0.0759
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0337 0.0759 0.5
Echinococcus multilocularis expressed conserved protein 0.0112 0.0197 0.2596
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0337 0.0759 0.0664
Schistosoma mansoni d-amino acid oxidase 0.4047 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0009 0.0114
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0109 0.1442
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0337 0.0759 1
Loa Loa (eye worm) hypothetical protein 0.0337 0.0759 0.0759
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0337 0.0759 0.0759
Brugia malayi hypothetical protein 0.0043 0.0027 0.0357
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0337 0.0759 1
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0337 0.0759 0.0726
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0109 0.0109
Echinococcus granulosus expressed conserved protein 0.0112 0.0197 0.2596
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0009
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0337 0.0759 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0009 0.0009
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0337 0.0759 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0109 0.0109
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0215 0.2833
Schistosoma mansoni fad oxidoreductase 0.0337 0.0759 0.0759
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0215 0.2567
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.0342 0.4507
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0337 0.0759 0.0664
Loa Loa (eye worm) RNA binding protein 0.0076 0.0109 0.0109
Brugia malayi cDNA sequence BC016226 0.0337 0.0759 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0109 0.0109
Schistosoma mansoni hypothetical protein 0.0049 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0049 0.0041 0.0041
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0102 0.1237
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0009 0.0114
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0545 0.0545
Brugia malayi Pre-SET motif family protein 0.0251 0.0545 0.7178
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0337 0.0759 1
Onchocerca volvulus 0.0036 0.0009 0.0114
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0631 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0027 0.0027
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0337 0.0759 1
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0046 0.0606
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0109 0.0109
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0337 0.0759 0.0664
Schistosoma mansoni hypothetical protein 0.0043 0.0027 0.0027
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0337 0.0759 1
Schistosoma mansoni hypothetical protein 0.0049 0.0041 0.0041
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0337 0.0759 0.0759
Onchocerca volvulus Huntingtin homolog 0.0148 0.0287 0.3786
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.0342 0.4507
Onchocerca volvulus Huntingtin homolog 0.0148 0.0287 0.3786
Brugia malayi RNA binding protein 0.0076 0.0109 0.1442
Echinococcus multilocularis protein patched 0.0051 0.0046 0.0606
Echinococcus multilocularis protein dispatched 1 0.0058 0.0064 0.0842
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0337 0.0759 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0337 0.0759 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0109 0.0109
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0102 0.0102
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0215 0.2833
Schistosoma mansoni hypothetical protein 0.0049 0.0041 0.0041
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0337 0.0759 0.5
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0046 0.0606
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0337 0.0759 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0337 0.0759 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.4047 1 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0337 0.0759 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0009 0.0114
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0215 0.2833
Chlamydia trachomatis D-amino acid dehydrogenase 0.0337 0.0759 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0109 0.0109
Leishmania major hypothetical protein, conserved 0.0337 0.0759 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0051 0.0046 0.0046
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0337 0.0759 0.5
Onchocerca volvulus 0.0286 0.0631 0.8318
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0102 0.1337
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0027 0.0357
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0102 0.0102
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0337 0.0759 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0009 0.0114
Loa Loa (eye worm) hypothetical protein 0.0337 0.0759 0.0759
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0337 0.0759 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.0109 0.1442
Loa Loa (eye worm) hypothetical protein 0.0337 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.0062 0.0075 0.0075
Leishmania major hypothetical protein, conserved 0.0337 0.0759 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0027 0.0357
Brugia malayi hypothetical protein 0.0148 0.0287 0.3786

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 11.2202 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 18.8699 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) 23.1093 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) = 25.1189 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 (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.3973 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.5068 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 46.1091 uM PubChem BioAssay. qHTS assay for re-activators of p53 using a Luc reporter: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.