Detailed information for compound 1357226

Basic information

Technical information
  • TDR Targets ID: 1357226
  • Name: 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran -3-yl]oxy-N-(2-ethoxyphenyl)acetamide
  • MW: 420.458 | Formula: C24H24N2O5
  • H donors: 1 H acceptors: 2 LogP: 3.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)COc1coc(cc1=O)CN1CCc2c1cccc2
  • InChi: 1S/C24H24N2O5/c1-2-29-22-10-6-4-8-19(22)25-24(28)16-31-23-15-30-18(13-21(23)27)14-26-12-11-17-7-3-5-9-20(17)26/h3-10,13,15H,2,11-12,14,16H2,1H3,(H,25,28)
  • InChiKey: WCPKTOZNDWICEI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-ethoxyphenyl)-2-[6-(indolin-1-ylmethyl)-4-oxo-pyran-3-yl]oxy-acetamide
  • N-(2-ethoxyphenyl)-2-[[6-(1-indolinylmethyl)-4-oxo-3-pyranyl]oxy]acetamide
  • N-(2-ethoxyphenyl)-2-[6-(indolin-1-ylmethyl)-4-keto-pyran-3-yl]oxy-acetamide
  • 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxo-pyran-3-yl]oxy-N-(2-ethoxyphenyl)ethanamide
  • ZINC04304403

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
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 Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi 6-phosphofructokinase 0.0131 0.2139 0.2876
Schistosoma mansoni hypothetical protein 0.0205 0.3775 0.516
Echinococcus granulosus tyrosine protein kinase Src42A 0.0039 0.0071 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0554 0.0642
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0554 0.077
Echinococcus granulosus tyrosine protein kinase Lyn 0.0044 0.0194 0.027
Brugia malayi mbt repeat family protein 0.0058 0.0496 0.056
Loa Loa (eye worm) hypothetical protein 0.0066 0.0674 0.0936
Echinococcus granulosus fatty acid amide hydrolase 1 0.0358 0.7194 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0194 0.027
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.0194 0.027
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0044 0.0194 0.027
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0245 0.4674 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.004 0.0098 0.0137
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0043 0.0174 0.0805
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0044 0.0194 0.027
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0674 0.0936
Echinococcus granulosus tyrosine protein kinase Src64B 0.0044 0.0194 0.027
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2139 0.4576
Loa Loa (eye worm) hypothetical protein 0.0358 0.7194 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0358 0.7194 1
Loa Loa (eye worm) MBCTL1 0.0066 0.0674 0.0936
Schistosoma mansoni amidase 0.0358 0.7194 1
Schistosoma mansoni hypothetical protein 0.0205 0.3775 0.516
Echinococcus multilocularis geminin 0.0205 0.3775 0.5247
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0044 0.0194 0.027
Brugia malayi phosphofructokinase 0.0131 0.2139 0.2876
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.4674 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0358 0.7194 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0002 0.5
Plasmodium falciparum lysophospholipase, putative 0.0245 0.4674 1
Brugia malayi 6-phosphofructokinase 0.0131 0.2139 0.2876
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0245 0.4674 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0245 0.4674 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0496 0.0689
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0496 0.0689
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0043 0.0174 0.0368
Mycobacterium tuberculosis Possible lysophospholipase 0.0251 0.4807 0.4715
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.2139 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.2139 0.4241
Brugia malayi Amidase family protein 0.0043 0.0174 0.0107
Echinococcus granulosus tyrosine kinase 0.004 0.0098 0.0137
Plasmodium falciparum lysophospholipase, putative 0.0245 0.4674 1
Brugia malayi SRC-1 0.0044 0.0194 0.0135
Schistosoma mansoni fatty-acid amide hydrolase 0.0043 0.0174 0.0064
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0496 0.0689
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0245 0.4674 1
Brugia malayi amidase 0.0358 0.7194 1
Schistosoma mansoni tyrosine kinase 0.0044 0.0194 0.0092
Plasmodium falciparum esterase, putative 0.0245 0.4674 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2139 0.4573
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2139 0.2844
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4274 0.594
Loa Loa (eye worm) hypothetical protein 0.006 0.0554 0.077
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0674 0.0936
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0484 1 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0496 0.5
Loa Loa (eye worm) amidase 0.0043 0.0174 0.0242
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.2139 0.1999
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0044 0.0194 0.027
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0039 0.0071 0.0098
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2139 0.4573
Schistosoma mansoni fatty-acid amide hydrolase 0.0358 0.7194 1
Brugia malayi mbt repeat family protein 0.0058 0.0496 0.056
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0496 0.0689
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.2139 0.4366
Leishmania major monoglyceride lipase, putative 0.0245 0.4674 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0043 0.0174 0.0242
Trypanosoma brucei monoglyceride lipase, putative 0.0245 0.4674 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2139 0.2973
Loa Loa (eye worm) phosphofructokinase 0.0131 0.2139 0.2973
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0043 0.0174 0.0242
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0674 0.0771
Echinococcus multilocularis tyrosine protein kinase Srms 0.004 0.0098 0.0137
Mycobacterium ulcerans lysophospholipase 0.0245 0.4674 0.458
Loa Loa (eye worm) amidase 0.0043 0.0174 0.0242
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0674 0.0936
Echinococcus granulosus geminin 0.0205 0.3775 0.5247
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.2139 0.1999
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0245 0.4674 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0098 0.0137
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2139 0.4366
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0129 0.0043
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0496 0.0519
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0245 0.4674 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0496 0.0689
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2139 0.4573
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0674 0.0936
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0245 0.4674 1
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.2139 0.2973
Brugia malayi putative amidase 0.0043 0.0174 0.0107
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0043 0.0174 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0043 0.0174 0.0368
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2139 0.4576
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.4674 1
Loa Loa (eye worm) TK protein kinase 0.004 0.0098 0.0137
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0358 0.7194 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0044 0.0194 0.027
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0496 0.0689
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0002 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0554 0.0642
Schistosoma mansoni hypothetical protein 0.035 0.7021 0.9755
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0002 0.0005
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0251 0.4807 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0194 0.027
Brugia malayi Amidase family protein 0.0043 0.0174 0.0107
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0043 0.0174 0.5
Schistosoma mansoni tyrosine kinase 0.0044 0.0194 0.0092
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0194 0.027
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0043 0.0174 0.0242
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0043 0.0174 0.0242
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0043 0.0174 0.0064
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2139 0.4366
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0002 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.0194 0.027
Loa Loa (eye worm) SRC-1 0.0044 0.0194 0.027
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2139 0.2844
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0496 0.0519
Plasmodium vivax PST-A protein 0.0245 0.4674 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2139 0.4573
Echinococcus multilocularis tyrosine protein kinase Blk 0.004 0.0098 0.0137
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2139 0.4576
Mycobacterium ulcerans hypothetical protein 0.0245 0.4674 0.458
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0002 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.004 0.0098 0.0137
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2139 0.2973
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4274 0.594
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0245 0.4674 1
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.2139 0.2973
Onchocerca volvulus 0.0058 0.0496 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0245 0.4674 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0496 0.0519
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0044 0.0194 0.027
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0674 0.0811
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0194 0.027
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0194 0.027
Plasmodium falciparum lysophospholipase, putative 0.0245 0.4674 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0129 0.0179
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0044 0.0194 0.027
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0194 0.027
Trypanosoma brucei monoglyceride lipase, putative 0.0245 0.4674 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.1014 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.081 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) 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) 31.6228 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 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) 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.

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