Detailed information for compound 1338708

Basic information

Technical information
  • TDR Targets ID: 1338708
  • Name: 3-(4-methoxyphenyl)-4-methyl-N-[(4-propan-2-y loxyphenyl)methyl]pentan-1-amine
  • MW: 355.514 | Formula: C23H33NO2
  • H donors: 1 H acceptors: 0 LogP: 5.47 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(C(C)C)CCNCc1ccc(cc1)OC(C)C
  • InChi: 1S/C23H33NO2/c1-17(2)23(20-8-12-21(25-5)13-9-20)14-15-24-16-19-6-10-22(11-7-19)26-18(3)4/h6-13,17-18,23-24H,14-16H2,1-5H3
  • InChiKey: BPBDVEZZLKLLGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-isopropoxyphenyl)methyl]-3-(4-methoxyphenyl)-4-methyl-pentan-1-amine
  • N-[(4-isopropoxyphenyl)methyl]-3-(4-methoxyphenyl)-4-methylpentan-1-amine
  • (4-isopropoxybenzyl)-[3-(4-methoxyphenyl)-4-methyl-pentyl]amine
  • (4-Isopropoxy-benzyl)-[3-(4-methoxy-phenyl)-4-methyl-pentyl]-amine
  • MLS000332207
  • SMR000434896

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense isocitrate dehydrogenase, 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
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 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
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Loa Loa (eye worm) isocitrate dehydrogenase 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
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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) transcription factor SMAD2 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense 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
Leishmania infantum 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis NADP dependent 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
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative 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
Brugia malayi 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Toxoplasma gondii 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
Schistosoma mansoni 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0879 0.2204
Leishmania major nitrate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0026 0.0255 0.0335
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0126 0.0126
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0126 0.0126
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0026 0.0255 1
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Entamoeba histolytica type A flavoprotein, putative 0.0088 0.1387 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0088 0.1387 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0125 0.0314
Trypanosoma brucei NADH-dependent fumarate reductase 0.0026 0.0255 0.0335
Mycobacterium tuberculosis Possible oxygenase 0.0026 0.0255 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0142 0.2377 0.596
Chlamydia trachomatis sulfite reductase 0.0142 0.2377 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0126 0.0316
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0026 0.0255 0.0335
Echinococcus multilocularis cytochrome b5 reductase 4 0.0026 0.0255 0.0255
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.023 0.3987 1
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0088 0.1387 0.3267
Loa Loa (eye worm) hypothetical protein 0.023 0.3987 1
Leishmania major oxidoreductase-like protein 0.0026 0.0255 0.0335
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Schistosoma mansoni hypothetical protein 0.0041 0.053 0.1329
Toxoplasma gondii flavodoxin domain-containing protein 0.0114 0.1866 1
Plasmodium vivax ferredoxin--NADP reductase, putative 0.0026 0.0255 0.0335
Echinococcus granulosus cytochrome b5 reductase 4 0.0026 0.0255 0.0255
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Toxoplasma gondii flavodoxin domain-containing protein 0.0114 0.1866 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.053 0.1329
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0125 0.0314
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0088 0.1387 0.3267
Trypanosoma cruzi cytochrome P450 reductase, putative 0.023 0.3987 1
Leishmania major NADH-dependent fumarate reductase-like protein 0.0026 0.0255 0.0335
Giardia lamblia Nitric oxide synthase, inducible 0.0204 0.3509 1
Schistosoma mansoni hypothetical protein 0.0019 0.0125 0.0314
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0126 0.0126
Plasmodium vivax hypothetical protein, conserved 0.0088 0.1387 0.3267
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0026 0.0255 0.064
Entamoeba histolytica type A flavoprotein, putative 0.0088 0.1387 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0125 0.0314
Trypanosoma cruzi p450 reductase, putative 0.023 0.3987 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.023 0.3987 0.3987
Trypanosoma cruzi cytochrome P450 reductase, putative 0.023 0.3987 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Loa Loa (eye worm) flavodoxin family protein 0.0088 0.1387 0.3479
Loa Loa (eye worm) FAD binding domain-containing protein 0.0142 0.2377 0.596
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0026 0.0255 0.064
Schistosoma mansoni hypothetical protein 0.0019 0.0125 0.0314
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.023 0.3987 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0125 0.0125
Loa Loa (eye worm) diaphorase 0.0026 0.0255 0.064
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0026 0.0255 0.0744
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.023 0.3987 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.0026 0.0255 0.0335
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0125 0.0314
Leishmania major NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0088 0.1387 0.3267
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0088 0.1387 0.3267
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.023 0.3987 0.3987
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.023 0.3987 1
Leishmania major hypothetical protein, conserved 0.0088 0.1387 0.3267
Leishmania major NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0026 0.0255 0.0255
Brugia malayi FAD binding domain containing protein 0.023 0.3987 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.023 0.3987 1
Leishmania major NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Brugia malayi isocitrate dehydrogenase 0.0019 0.0126 0.0316
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0041 0.053 0.1329
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0088 0.1387 0.3267
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0125 0.0125
Schistosoma mansoni cytochrome P450 reductase 0.023 0.3987 1
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi p450 reductase, putative 0.0026 0.0255 0.0335
Echinococcus multilocularis methionine synthase reductase 0.0142 0.2377 0.2377
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0204 0.3509 0.8159
Trypanosoma cruzi reductase, putative 0.0026 0.0255 0.0335
Plasmodium falciparum nitric oxide synthase, putative 0.023 0.3987 1
Echinococcus granulosus methionine synthase reductase 0.0142 0.2377 0.2377
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0026 0.0255 0.0744
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Trypanosoma cruzi oxidoreductase-protein, putative 0.0026 0.0255 0.0335
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0125 0.0314
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Treponema pallidum flavodoxin 0.0088 0.1387 1
Trypanosoma brucei nitrate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0026 0.0255 0.0335
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2416 0.6059
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Giardia lamblia Hypothetical protein 0.0204 0.3509 1
Leishmania major NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Schistosoma mansoni cytochrome B5 0.0026 0.0255 0.064
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0879 0.2204
Mycobacterium tuberculosis Probable monooxygenase 0.0026 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0879 0.2204
Echinococcus multilocularis GPCR, family 2 0.0019 0.0125 0.0125
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0019 0.0125 0.0314
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0125 0.0125
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0026 0.0255 0.0335
Plasmodium falciparum ferredoxin--NADP reductase 0.0026 0.0255 0.0335
Leishmania major cytochrome P450 reductase, putative 0.0204 0.3509 0.876
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi nitrate reductase, putative 0.0026 0.0255 0.0335
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0125 0.0125
Brugia malayi diaphorase 0.0026 0.0255 0.064
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Entamoeba histolytica type A flavoprotein, putative 0.0088 0.1387 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0026 0.0255 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0879 0.2204
Echinococcus granulosus cytochrome b5 reductase 4 0.0026 0.0255 0.0255
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0026 0.0255 1
Brugia malayi MH2 domain containing protein 0.0144 0.2416 0.6059
Schistosoma mansoni diflavin oxidoreductase 0.0114 0.1866 0.468
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.0026 0.0255 0.0335
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.023 0.3987 1
Brugia malayi FAD binding domain containing protein 0.0142 0.2377 0.596
Brugia malayi flavodoxin family protein 0.023 0.3987 1
Leishmania major p450 reductase, putative 0.023 0.3987 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Echinococcus granulosus GPCR family 2 0.0019 0.0125 0.0125
Onchocerca volvulus 0.0026 0.0255 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0088 0.1387 0.3267
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Leishmania major cytochrome-b5 reductase, putative 0.0026 0.0255 0.0335
Echinococcus granulosus NADPH cytochrome P450 reductase 0.023 0.3987 0.3987
Schistosoma mansoni NADPH flavin oxidoreductase 0.0116 0.1898 0.476
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0126 0.0126
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0026 0.0255 0.064
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.023 0.3987 1
Leishmania major cytochrome-b5 reductase, putative 0.0026 0.0255 0.0335
Entamoeba histolytica type A flavoprotein, putative 0.0088 0.1387 0.5
Brugia malayi flavodoxin family protein 0.0088 0.1387 0.3479
Trichomonas vaginalis sulfite reductase, putative 0.023 0.3987 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0126 0.0316
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0026 0.0255 0.0255
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335
Loa Loa (eye worm) FAD binding domain-containing protein 0.023 0.3987 1
Plasmodium vivax flavodoxin domain containing protein 0.0204 0.3509 0.876
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.023 0.3987 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.023 0.3987 0.3987
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2416 0.6059
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0126 0.0316
Leishmania major reductase, putative 0.0026 0.0255 0.0335
Trypanosoma brucei oxidoreductase-protein, putative 0.0026 0.0255 0.0335
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0026 0.0255 0.0335

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 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) 7.9433 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) = 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) 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 18.3564 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) 22.3872 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) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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) = 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

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