Detailed information for compound 1404211

Basic information

Technical information
  • TDR Targets ID: 1404211
  • Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-et hylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxa mide
  • MW: 378.785 | Formula: C17H16ClFN4O3
  • H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1ncc(c1)CNC(=O)c1noc(c1)COc1ccc(cc1Cl)F
  • InChi: 1S/C17H16ClFN4O3/c1-2-23-9-11(8-21-23)7-20-17(24)15-6-13(26-22-15)10-25-16-4-3-12(19)5-14(16)18/h3-6,8-9H,2,7,10H2,1H3,(H,20,24)
  • InChiKey: GMKWAECOPLCWIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]isoxazole-3-carboxamide
  • 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-4-pyrazolyl)methyl]-3-isoxazolecarboxamide
  • 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
  • MLS000734657
  • SMR000317834
  • 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Leishmania major 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Toxoplasma gondii isocitrate dehydrogenase 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense isocitrate dehydrogenase, 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) 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 N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
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
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Entamoeba histolytica alcohol dehydrogenase, putative 0.0289 0.3315 0.5
Loa Loa (eye worm) oxidoreductase 0.0289 0.3315 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0289 0.3315 1
Schistosoma mansoni hypothetical protein 0.0205 0.2279 0.2279
Loa Loa (eye worm) oxidoreductase 0.0289 0.3315 1
Trypanosoma brucei prostaglandin f synthase 0.0289 0.3315 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0289 0.3315 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0289 0.3315 1
Brugia malayi TAR-binding protein 0.0076 0.0705 0.2127
Echinococcus granulosus tar DNA binding protein 0.0076 0.0705 0.0705
Onchocerca volvulus 0.0289 0.3315 0.5
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0289 0.3315 1
Onchocerca volvulus 0.0289 0.3315 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0705 0.2127
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Entamoeba histolytica aldose reductase, putative 0.0289 0.3315 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0505 0.1523
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0289 0.3315 0.5
Echinococcus multilocularis aldo keto reductase 0.0289 0.3315 0.3315
Toxoplasma gondii aldose reductase, putative 0.0289 0.3315 1
Onchocerca volvulus 0.0289 0.3315 0.5
Mycobacterium leprae Possible oxidoreductase 0.0289 0.3315 0.5
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0289 0.3315 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0289 0.3315 0.5
Echinococcus granulosus geminin 0.0205 0.2279 0.2279
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0271 0.0818
Schistosoma mansoni aldo-keto reductase 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0289 0.3315 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Loa Loa (eye worm) oxidoreductase 0.0289 0.3315 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Entamoeba histolytica aldose reductase, putative 0.0289 0.3315 0.5
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0289 0.3315 1
Echinococcus multilocularis aldo keto reductase 0.0289 0.3315 0.3315
Schistosoma mansoni hypothetical protein 0.0041 0.0271 0.0271
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0289 0.3315 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Schistosoma mansoni aldo-keto reductase 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0289 0.3315 1
Plasmodium falciparum aldo-keto reductase, putative 0.0289 0.3315 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0505 0.1523
Brugia malayi NADH-dependent xylose reductase 0.0289 0.3315 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0705 0.0705
Loa Loa (eye worm) RNA binding protein 0.0076 0.0705 0.2127
Onchocerca volvulus 0.0289 0.3315 0.5
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0289 0.3315 1
Echinococcus granulosus aldo keto reductase 0.0289 0.3315 0.3315
Echinococcus granulosus hypothetical protein 0.0289 0.3315 0.3315
Leishmania major aldo-keto reductase-like protein 0.0289 0.3315 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0705 0.2127
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Trypanosoma brucei aldo/keto reductase, putative 0.0289 0.3315 1
Echinococcus multilocularis aldo keto reductase 0.0289 0.3315 0.3315
Echinococcus granulosus voltage gated potassium channel subunit 0.0289 0.3315 0.3315
Loa Loa (eye worm) oxidoreductase 0.0289 0.3315 1
Trypanosoma cruzi aldo-keto reductase 0.0289 0.3315 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0705 0.0705
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0505 0.1523
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Loa Loa (eye worm) hypothetical protein 0.0041 0.0271 0.0818
Echinococcus multilocularis voltage gated potassium channel subunit 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Giardia lamblia Aldose reductase 0.0289 0.3315 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo/keto reductase, putative 0.0289 0.3315 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0705 0.2127
Trichomonas vaginalis aldo/keto reductase, putative 0.0289 0.3315 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0705 0.0705
Brugia malayi RNA binding protein 0.0076 0.0705 0.2127
Loa Loa (eye worm) hypothetical protein 0.0289 0.3315 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0289 0.3315 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0289 0.3315 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Echinococcus multilocularis aldo keto reductase 0.0289 0.3315 0.3315
Mycobacterium tuberculosis Probable oxidoreductase 0.0289 0.3315 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Mycobacterium ulcerans hypothetical protein 0.0289 0.3315 0.5
Mycobacterium tuberculosis Conserved protein 0.0289 0.3315 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0289 0.3315 1
Mycobacterium ulcerans oxidoreductase 0.0289 0.3315 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2279 0.2279
Echinococcus multilocularis geminin 0.0205 0.2279 0.2279
Echinococcus granulosus aldo keto reductase 0.0289 0.3315 0.3315
Loa Loa (eye worm) oxidoreductase 0.0289 0.3315 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0289 0.3315 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0705 0.0705
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Onchocerca volvulus 0.0289 0.3315 0.5
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0289 0.3315 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0289 0.3315 0.5
Schistosoma mansoni pol-related 0.0289 0.3315 0.3315
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0289 0.3315 0.5
Toxoplasma gondii aldo-keto reductase 0.0289 0.3315 1
Onchocerca volvulus 0.0289 0.3315 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0705 0.0705
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0289 0.3315 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Echinococcus granulosus aldo keto reductase 0.0289 0.3315 0.3315
Onchocerca volvulus 0.0289 0.3315 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Plasmodium vivax aldehyde reductase, putative 0.0289 0.3315 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Schistosoma mansoni potassium channel beta 0.0289 0.3315 0.3315
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Trichomonas vaginalis aldo/keto reductase, putative 0.0289 0.3315 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0505 0.1523
Trichomonas vaginalis aldo-keto reductase, putative 0.0289 0.3315 0.5
Trypanosoma brucei aldo-keto reductase, putative 0.0289 0.3315 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0289 0.3315 0.3315
Entamoeba histolytica aldose reductase, putative 0.0289 0.3315 0.5
Leishmania major prostaglandin f synthase, putative 0.0289 0.3315 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0705 0.0705
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0289 0.3315 0.3315
Plasmodium falciparum aldehyde reductase, putative 0.0289 0.3315 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0289 0.3315 1
Giardia lamblia Aldose reductase 0.0289 0.3315 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 18.3564 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) 18.526 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) 19.9526 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) 20.5962 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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