Detailed information for compound 1316487

Basic information

Technical information
  • TDR Targets ID: 1316487
  • Name: 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin -2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
  • MW: 407.242 | Formula: C15H11BrN4O3S
  • H donors: 1 H acceptors: 5 LogP: 3.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)[N+](=O)[O-])CSc1nc2c(n1)cc(c([nH]2)C)Br
  • InChi: 1S/C15H11BrN4O3S/c1-8-11(16)6-12-14(17-8)19-15(18-12)24-7-13(21)9-3-2-4-10(5-9)20(22)23/h2-6H,7H2,1H3,(H,17,18,19)
  • InChiKey: XCBASSFRDZJVQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1-(3-nitrophenyl)ethanone
  • 2-(6-Bromo-5-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-nitro-phenyl)-ethanone
  • MLS000580252
  • SMR000220489

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone binding protein No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
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
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0306 0.0993 0.0993
Schistosoma mansoni smad1 5 8 and 0.001 0.0015 0.0004
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0225 0.5
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0009 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Schistosoma mansoni metabotropic glutamate receptor 0.0048 0.0142 0.0132
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0097 0.0097
Brugia malayi Carboxylesterase family protein 0.3027 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0511 0.1675 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0015 0.0031 0.0031
Onchocerca volvulus 0.0035 0.0097 0.0504
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3223 0.3215
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0071 0.0217 0.0207
Mycobacterium ulcerans carboxylesterase, LipT 0.0511 0.1675 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0579 0.0569
Brugia malayi Carboxylesterase family protein 0.0511 0.1675 0.1675
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0018 0.0018
Onchocerca volvulus 0.0511 0.1675 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0048 0.0142 0.0132
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0459 0.0459
Schistosoma mansoni cpg binding protein 0.0037 0.0103 0.0093
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0459 0.0459
Schistosoma mansoni gliotactin 0.0511 0.1675 0.1666
Loa Loa (eye worm) hypothetical protein 0.3027 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0306 0.0993 0.0993
Mycobacterium tuberculosis Carboxylesterase LipT 0.0511 0.1675 1
Echinococcus multilocularis GPCR, family 3, C terminal 0.0009 0.0013 0.0002
Brugia malayi MH2 domain containing protein 0.001 0.0015 0.0015
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0225 0.0214
Brugia malayi CXXC zinc finger family protein 0.0035 0.0097 0.0097
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0225 0.0215
Echinococcus multilocularis cpg binding protein 0.0037 0.0103 0.0093
Echinococcus granulosus neuroligin 0.0511 0.1675 0.1666
Loa Loa (eye worm) hypothetical protein 0.0071 0.0217 0.0217
Schistosoma mansoni smad1 5 8 and 0.001 0.0015 0.0004
Echinococcus multilocularis acetylcholinesterase 0.3027 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0223 0.0721 0.0711
Brugia malayi Metabotropic glutamate receptor precursor. 0.0058 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0038 0.0108 0.0098
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0108 0.0108
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0015 0.0015
Echinococcus multilocularis GPCR, family 2 0.0038 0.0108 0.0098
Echinococcus granulosus BC026374 protein S09 family 0.0511 0.1675 0.1666
Schistosoma mansoni smad 0.001 0.0015 0.0004
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1617 0.1608
Brugia malayi MH1 domain containing protein 0.001 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0511 0.1675 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0108 0.0098
Echinococcus granulosus carboxylesterase 5A 0.3027 1 1
Echinococcus granulosus GPCR family 3 C terminal 0.0009 0.0013 0.0002
Onchocerca volvulus 0.0511 0.1675 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0223 0.0721 0.0711
Echinococcus granulosus metabotropic glutamate receptor 5 0.0071 0.0217 0.0207
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0015 0.0004
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Echinococcus multilocularis acetylcholinesterase 0.3027 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0511 0.1675 1
Loa Loa (eye worm) hypothetical protein 0.006 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Echinococcus granulosus GPCR family 2 0.0038 0.0108 0.0098
Echinococcus granulosus tumor protein p63 0.0408 0.1332 0.1323
Schistosoma mansoni smad1 5 8 and 0.001 0.0015 0.0004
Brugia malayi Smad1 0.001 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.3027 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0028 0.0075 0.0065
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0108 0.0108
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0048 0.0142 0.0132
Loa Loa (eye worm) acetylcholinesterase 1 0.3027 1 1
Loa Loa (eye worm) glutamate receptor 0.0023 0.0057 0.0057
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1617 0.1608
Echinococcus granulosus Smad4 0.001 0.0015 0.0004
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0017 0.0017
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0015 0.0004
Schistosoma mansoni cpg binding protein 0.0035 0.0097 0.0086
Echinococcus multilocularis para nitrobenzyl esterase 0.0511 0.1675 0.1666
Brugia malayi MH2 domain containing protein 0.001 0.0015 0.0015
Loa Loa (eye worm) carboxylesterase 0.0511 0.1675 0.1675
Schistosoma mansoni cellular tumor antigen P53 0.006 0.018 0.0169
Schistosoma mansoni hypothetical protein 0.0038 0.0108 0.0098
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0018 0.0007
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0511 0.1675 0.1666
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0225 0.0214
Loa Loa (eye worm) hypothetical protein 0.0009 0.0013 0.0013
Echinococcus multilocularis muscleblind protein 0.018 0.0579 0.0569
Onchocerca volvulus 0.0511 0.1675 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0015 0.0031 0.0031
Brugia malayi hypothetical protein 0.0511 0.1675 0.1675
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0225 0.0214
Brugia malayi MH1 domain containing protein 0.001 0.0015 0.0015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0511 0.1675 0.1666
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0108 0.0098
Loa Loa (eye worm) hypothetical protein 0.018 0.0579 0.0579
Schistosoma mansoni hypothetical protein 0.0038 0.0108 0.0098
Echinococcus granulosus para nitrobenzyl esterase 0.0511 0.1675 0.1666
Echinococcus multilocularis Smad4 0.001 0.0015 0.0004
Brugia malayi Muscleblind-like protein 0.018 0.0579 0.0579
Echinococcus multilocularis tumor protein p63 0.0408 0.1332 0.1323
Loa Loa (eye worm) hypothetical protein 0.0038 0.0108 0.0108
Echinococcus multilocularis smad 0.001 0.0015 0.0004
Echinococcus multilocularis BC026374 protein (S09 family) 0.0511 0.1675 0.1666
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.3027 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0015 0.0004
Loa Loa (eye worm) hypothetical protein 0.018 0.0579 0.0579
Onchocerca volvulus 0.0511 0.1675 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Echinococcus granulosus acetylcholinesterase 0.3027 1 1
Schistosoma mansoni hypothetical protein 0.0009 0.0013 0.0002
Echinococcus granulosus acetylcholinesterase 0.3027 1 1
Schistosoma mansoni hypothetical protein 0.0082 0.0254 0.0244
Loa Loa (eye worm) hypothetical protein 0.0082 0.0254 0.0254
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.038 0.038
Schistosoma mansoni BC026374 protein (S09 family) 0.0511 0.1675 0.1666
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0511 0.1675 0.1666
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0018 0.0007
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0511 0.1675 0.1666
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.038 0.038
Brugia malayi Carboxylesterase family protein 0.0511 0.1675 0.1675
Onchocerca volvulus 0.006 0.018 0.1003
Echinococcus multilocularis carboxylesterase 5A 0.3027 1 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0015 0.0004
Brugia malayi Carboxylesterase family protein 0.0511 0.1675 0.1675
Schistosoma mansoni acetylcholinesterase 0.0511 0.1675 0.1666
Brugia malayi MH2 domain containing protein 0.0144 0.0459 0.0459
Brugia malayi Receptor family ligand binding region containing protein 0.0015 0.0031 0.0031
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0511 0.1675 0.1666
Echinococcus granulosus muscleblind protein 0.018 0.0579 0.0569
Schistosoma mansoni hypothetical protein 0.0038 0.0108 0.0098
Trichomonas vaginalis spcc417.12 protein, putative 0.0511 0.1675 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0015 0.0015
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0225 0.0214
Schistosoma mansoni hypothetical protein 0.0494 0.1617 0.1608
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0225 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0108 0.0108
Loa Loa (eye worm) carboxylesterase 0.0511 0.1675 0.1675
Brugia malayi metabotropic glutamate receptor type 2 0.0028 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0511 0.1675 0.1675
Schistosoma mansoni neuroligin 3 (S09 family) 0.0511 0.1675 0.1666
Schistosoma mansoni Smad4 0.001 0.0015 0.0004
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0015 0.0004
Echinococcus granulosus cpg binding protein 0.0037 0.0103 0.0093
Loa Loa (eye worm) glutamate receptor 0.0058 0.0173 0.0173
Echinococcus granulosus smad 0.001 0.0015 0.0004
Schistosoma mansoni cpg binding protein 0.0037 0.0103 0.0093
Onchocerca volvulus 0.0511 0.1675 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0052 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0015 0.0031 0.0031
Echinococcus multilocularis neuroligin 0.0511 0.1675 0.1666
Brugia malayi Carboxylesterase family protein 0.0511 0.1675 0.1675
Loa Loa (eye worm) Smad1 0.001 0.0015 0.0015
Loa Loa (eye worm) carboxylesterase 0.3027 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0066 0.0199 0.0189

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) < 0.368 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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) 5.6234 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) 7.3078 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 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 (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 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) 28.1838 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 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
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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