Detailed information for compound 1408443

Basic information

Technical information
  • TDR Targets ID: 1408443
  • Name: IDI1_029994
  • MW: 341.358 | Formula: C19H19NO5
  • H donors: 0 H acceptors: 1 LogP: 3.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)OCC1ON=C(C1)c1ccccc1
  • InChi: 1S/C19H19NO5/c1-22-17-9-8-14(10-18(17)23-2)19(21)24-12-15-11-16(20-25-15)13-6-4-3-5-7-13/h3-10,15H,11-12H2,1-2H3
  • InChiKey: RMXFSYCDDXGVOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ChemDiv3_014196
  • (3-phenyl-4,5-dihydro-5-isoxazolyl)methyl 3,4-dimethoxybenzoate
  • MLS000674386
  • SMR000297345

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
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_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.4271 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.1218 0.2851
Schistosoma mansoni hypothetical protein 0.0019 0.0418 0.0753
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0111
Echinococcus multilocularis peregrin 0.0035 0.1064 0.2492
Echinococcus granulosus JmjC domain containing protein 4 0.0011 0.011 0.0258
Trypanosoma brucei polo-like protein kinase 0.0114 0.4221 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0011 0.011 0.0005
Echinococcus multilocularis GPCR, family 2 0.0019 0.0418 0.0978
Brugia malayi jmjC domain containing protein 0.0011 0.011 0.0005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0418 0.0978
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.1361 0.3047
Loa Loa (eye worm) hypothetical protein 0.006 0.2065 0.1997
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0189 0.0443
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2717 0.2655
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.6344
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.054 0.1037
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2565 0.2502
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.4221 0.4172
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.4221 1
Schistosoma mansoni phd/f-box containing protein 0.0011 0.011 0.0005
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.1218 0.2666
Echinococcus granulosus peregrin 0.0035 0.1064 0.2492
Schistosoma mansoni jumonji domain containing protein 0.0011 0.011 0.0005
Loa Loa (eye worm) hypothetical protein 0.0041 0.1302 0.1228
Echinococcus granulosus lysine specific demethylase 6a 0.0011 0.011 0.0258
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0189 0.0443
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.4221 0.9881
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0418 0.0978
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0108 0.0253
Brugia malayi jmjC domain containing protein 0.0115 0.4271 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0011 0.011 0.0258
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0108 0.0253
Brugia malayi jmjC domain containing protein 0.0011 0.011 0.0005
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.4271 1
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.1361 0.3047
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0418 0.0978
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0085 0.0198
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1064 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2717 0.6268
Schistosoma mansoni hypothetical protein 0.0041 0.1302 0.2904
Schistosoma mansoni hypothetical protein 0.0019 0.0418 0.0753
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.6344
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0116 0.0006
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.4221 0.9884
Brugia malayi jmjC domain containing protein 0.0045 0.144 0.32
Schistosoma mansoni hypothetical protein 0.0035 0.1064 0.2325
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1916 0.2577
Echinococcus multilocularis lysine specific demethylase 6a 0.0011 0.011 0.0258
Echinococcus granulosus phd:f box containing protein 0.0011 0.011 0.0258
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0418 0.0744
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1064 0.2492
Brugia malayi AF-10 protein 0.0012 0.0116 0.0019
Brugia malayi RNA binding protein 0.0076 0.2717 0.6268
Schistosoma mansoni protein phosphatase 2C 0.0011 0.011 0.0005
Schistosoma mansoni cpg binding protein 0.0037 0.1123 0.2467
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1916 0.2577
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.4221 1
Onchocerca volvulus Alhambra homolog 0.0035 0.1064 0.0066
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.011 0.0026
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1302 0.287
Schistosoma mansoni cpg binding protein 0.0035 0.1043 0.2274
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.4221 0.9884
Brugia malayi PHD-finger family protein 0.0013 0.0195 0.0209
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1064 0.2325
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1064 0.0965
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0116 0.0006
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.1064 0.2492
Echinococcus multilocularis phd:f box containing protein 0.0011 0.011 0.0258
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.6344
Loa Loa (eye worm) RNA binding protein 0.0076 0.2717 0.2655
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.144 0.3239
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0108 0.0253
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2065 0.4701
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0461 0.0858
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.6344
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.1218 0.1143
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0014 0.02 0.0947
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.4221 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0418 0.0753
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.144 0.1367
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1064 0.0965
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.011 0.0026
Brugia malayi Bromodomain containing protein 0.0035 0.1064 0.2298
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.6344
Brugia malayi jmjC domain containing protein 0.0011 0.011 0.0005
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.4221 1
Schistosoma mansoni hypothetical protein 0.0012 0.0116 0.0019
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2065 0.4701
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0418 0.0744
Brugia malayi jmjC domain containing protein 0.0011 0.011 0.0005
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0116 0.0014
Loa Loa (eye worm) hypothetical protein 0.0011 0.011 0.0026
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2285 0.22
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0108 0.0253
Loa Loa (eye worm) hypothetical protein 0.006 0.2071 0.2004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0418 0.0336
Giardia lamblia Kinase, PLK 0.0114 0.4221 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.011 0.0026
Loa Loa (eye worm) hypothetical protein 0.0034 0.1011 0.0935
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0116 0.0014
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.144 0.3239
Loa Loa (eye worm) hypothetical protein 0.0011 0.0108 0.0023
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.011 0.0026
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2065 0.1997
Brugia malayi CXXC zinc finger family protein 0.0035 0.1043 0.2247
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1616 0.3785
Echinococcus granulosus jumonji domain containing 1A 0.0011 0.011 0.0258
Plasmodium vivax hypothetical protein, conserved 0.0014 0.02 0.0947
Echinococcus multilocularis jumonji domain containing 1A 0.0011 0.011 0.0258
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2717 0.2655
Brugia malayi PHD-finger family protein 0.0035 0.1064 0.2298
Echinococcus granulosus cpg binding protein 0.0037 0.1123 0.2628
Echinococcus granulosus GPCR family 2 0.0019 0.0418 0.0978
Echinococcus granulosus tar DNA binding protein 0.0076 0.2717 0.6362
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0418 0.0336
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.1218 0.2851
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.144 0.3372
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0418 0.0978
Brugia malayi TAR-binding protein 0.0076 0.2717 0.6268
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4221 1
Schistosoma mansoni phosphatidylserine receptor 0.0011 0.011 0.0005
Schistosoma mansoni hypothetical protein 0.0019 0.0418 0.0753
Echinococcus multilocularis cpg binding protein 0.0037 0.1123 0.2628
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1361 0.3187
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1616 0.3785
Schistosoma mansoni kinase 0.0058 0.1976 0.4541
Schistosoma mansoni cpg binding protein 0.0037 0.1123 0.2467
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1064 0.0988
Plasmodium falciparum phd finger protein, putative 0.0035 0.1064 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.4221 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.4221 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1043 0.0967
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.26 0.6058
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3322 0.7814
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0085 0.0198
Loa Loa (eye worm) hypothetical protein 0.0035 0.1064 0.0988
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2717 0.6362

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 3.1623 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) 10.6213 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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