Detailed information for compound 1258324

Basic information

Technical information
  • TDR Targets ID: 1258324
  • Name: (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzo ate
  • MW: 322.315 | Formula: C18H14N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Oc1ccc(=O)n(n1)c1ccccc1
  • InChi: 1S/C18H14N2O4/c1-23-15-9-7-13(8-10-15)18(22)24-16-11-12-17(21)20(19-16)14-5-3-2-4-6-14/h2-12H,1H3
  • InChiKey: CVWUDPMGMNLYGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6-oxo-1-phenyl-pyridazin-3-yl) 4-methoxybenzoate
  • 4-methoxybenzoic acid (6-oxo-1-phenyl-3-pyridazinyl) ester
  • 4-methoxybenzoic acid (6-keto-1-phenyl-pyridazin-3-yl) ester
  • 2R-1030
  • ZINC01383869
  • 6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-methoxybenzenecarboxylate
  • MLS000546622
  • SMR000180020
  • Oprea1_661690

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
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 japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA 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
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing 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
Leishmania infantum 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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 %
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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4087 0.4087
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0289 0.0289
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0127 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3896 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0679 0.4791
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.1155 0.1829
Schistosoma mansoni lamin 0.0028 0.1155 0.1155
Echinococcus granulosus intermediate filament protein 0.0028 0.1155 0.1155
Echinococcus granulosus cation transporting atpase worm 0.001 0.0096 0.0096
Loa Loa (eye worm) RNA binding protein 0.0076 0.4087 0.689
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4087 0.689
Schistosoma mansoni cation-transporting atpase worm 0.001 0.0096 0.0096
Mycobacterium leprae Probable metal cation-transporting P-type ATPase C CtpC 0.001 0.0096 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0679 0.1536
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4087 0.4087
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4087 0.4087
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3896 1
Schistosoma mansoni atpase class VI type 11c 0.001 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0175 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3896 0.3896
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0307 0.1738
Trypanosoma brucei unspecified product 0.0014 0.0307 0.1738
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.1155 0.1829
Brugia malayi CXXC zinc finger family protein 0.0035 0.1569 0.2544
Trypanosoma brucei unspecified product 0.002 0.0679 0.4791
Brugia malayi hypothetical protein 0.0043 0.2097 0.3455
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1314 1
Brugia malayi RNA binding protein 0.0076 0.4087 0.689
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1569 0.2544
Giardia lamblia DINP protein human, muc B family 0.002 0.0679 1
Echinococcus granulosus cation transporting ATPase 13A3 0.001 0.0096 0.0096
Schistosoma mansoni DNA polymerase eta 0.002 0.0679 0.0679
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0679 0.1007
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.001 0.0096 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4087 0.689
Leishmania major hypothetical protein, conserved 0.003 0.1314 0.3205
Echinococcus multilocularis lamin dm0 0.0028 0.1155 0.1155
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0679 0.4791
Loa Loa (eye worm) hypothetical protein 0.0013 0.0289 0.0334
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.001 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0043 0.2097 0.2097
Brugia malayi hypothetical protein 0.002 0.0664 0.0982
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1314 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.5888 1
Echinococcus multilocularis geminin 0.0175 1 1
Treponema pallidum hypothetical protein 0.001 0.0096 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0679 0.0679
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0096 0.0096
Echinococcus granulosus phospholipid transporting ATPase IIB 0.001 0.0096 0.0096
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3896 1
Entamoeba histolytica hypothetical protein 0.0043 0.2097 1
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.001 0.0096 0.0096
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0096 0.0096
Echinococcus granulosus calcium transporting ATPase type 2C member 0.001 0.0096 0.0096
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0289 0.0289
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1314 1
Schistosoma mansoni copper ABC transporter ATPase 0.001 0.0096 0.0096
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0679 0.1007
Echinococcus multilocularis musashi 0.0028 0.1155 0.1155
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4087 0.4087
Schistosoma mansoni cpg binding protein 0.0037 0.1688 0.1688
Schistosoma mansoni phosphoserine phosphatase 0.001 0.0096 0.0096
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0679 0.1007
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1314 1
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0096 0.0096
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3896 1
Schistosoma mansoni lamin 0.0028 0.1155 0.1155
Entamoeba histolytica hypothetical protein 0.0043 0.2097 1
Schistosoma mansoni eyes absent homolog 0.0106 0.5888 0.5888
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.001 0.0096 0.0096
Echinococcus multilocularis cation transporting atpase worm 0.001 0.0096 0.0096
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.3437 0.8793
Loa Loa (eye worm) hypothetical protein 0.0028 0.1155 0.1829
Brugia malayi hypothetical protein 0.0106 0.5888 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0679 1
Trypanosoma brucei unspecified product 0.0014 0.0307 0.1738
Schistosoma mansoni cpg binding protein 0.0035 0.1569 0.1569
Schistosoma mansoni cation-transporting ATPase 0.001 0.0096 0.0096
Onchocerca volvulus 0.0028 0.1155 0.7191
Echinococcus granulosus cpg binding protein 0.0037 0.1688 0.1688
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0127 0.0127
Mycobacterium leprae PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB 0.001 0.0096 0.5
Echinococcus multilocularis lamin 0.0028 0.1155 0.1155
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0679 0.4791
Schistosoma mansoni intermediate filament proteins 0.0028 0.1155 0.1155
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0679 0.4791
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0096 0.0096
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0378 0.0487
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.001 0.0096 0.0096
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3896 0.3896
Echinococcus granulosus tar DNA binding protein 0.0076 0.4087 0.4087
Schistosoma mansoni type V p-type atpase isoform 0.001 0.0096 0.0096
Echinococcus multilocularis cation transporting ATPase 13A1 0.001 0.0096 0.0096
Chlamydia trachomatis metal transport ATPase 0.001 0.0096 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4087 0.4087
Loa Loa (eye worm) hypothetical protein 0.003 0.1314 0.2103
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0679 0.4791
Echinococcus multilocularis cation transporting ATPase 13A3 0.001 0.0096 0.0096
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1314 0.3205
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0096 0.0096
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2097 0.2097
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0679 0.1536
Echinococcus granulosus copper transporting ATPase 1 0.001 0.0096 0.0096
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.391 0.391
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0679 0.0679
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0127 0.0127
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0679 0.1536
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2097 0.2097
Brugia malayi hypothetical protein 0.003 0.1314 0.2103
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0378 0.0487
Leishmania major DNA polymerase eta, putative 0.002 0.0679 0.1536
Brugia malayi TAR-binding protein 0.0076 0.4087 0.689
Echinococcus granulosus phospholipid transporting ATPase VA 0.001 0.0096 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0307 0.1738
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.001 0.0096 0.0096
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0096 0.0096
Echinococcus multilocularis cpg binding protein 0.0037 0.1688 0.1688
Loa Loa (eye worm) intermediate filament protein 0.0028 0.1155 0.1829
Echinococcus granulosus cation transporting ATPase 13A1 0.001 0.0096 0.0096
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3896 1
Schistosoma mansoni cpg binding protein 0.0037 0.1688 0.1688
Loa Loa (eye worm) hypothetical protein 0.0013 0.0259 0.0281
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.001 0.0096 0.0096
Echinococcus granulosus lamin dm0 0.0028 0.1155 0.1155
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0303 0.0303
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.001 0.0096 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Entamoeba histolytica hypothetical protein 0.0043 0.2097 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0307 0.1738
Echinococcus granulosus dna polymerase kappa 0.002 0.0679 0.0679
Onchocerca volvulus 0.0028 0.1155 0.7191
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0679 0.1536
Loa Loa (eye worm) hypothetical protein 0.0027 0.1125 0.1777
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0679 0.4791
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1314 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4087 0.689
Echinococcus granulosus lamin 0.0028 0.1155 0.1155
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0679 0.2916
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1314 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0679 0.1536
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0679 0.4791
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0679 0.0679
Schistosoma mansoni hypothetical protein 0.0014 0.0303 0.0303
Onchocerca volvulus 0.0035 0.1569 1
Schistosoma mansoni cation-transporting atpase worm 0.001 0.0096 0.0096
Schistosoma mansoni ATPase 0.001 0.0096 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0679 0.4791
Schistosoma mansoni hypothetical protein 0.0175 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4087 0.4087
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3896 0.3896
Brugia malayi intermediate filament protein 0.0028 0.1155 0.1829
Entamoeba histolytica hypothetical protein 0.0043 0.2097 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0679 0.0679
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2097 0.2097
Loa Loa (eye worm) hypothetical protein 0.0013 0.0259 0.0281
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Echinococcus granulosus dna polymerase eta 0.002 0.0679 0.0679
Echinococcus multilocularis dna polymerase kappa 0.002 0.0679 0.0679
Echinococcus multilocularis phospholipid transporting ATPase VA 0.001 0.0096 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0679 0.4791
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0679 0.4791
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0679 0.1536
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3896 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.5888 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0679 0.0679
Schistosoma mansoni ATPase 0.001 0.0096 0.0096
Echinococcus multilocularis copper transporting ATPase 1 0.001 0.0096 0.0096
Treponema pallidum cation-transporting ATPase, P-type 0.001 0.0096 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0119 0.004
Loa Loa (eye worm) hypothetical protein 0.002 0.0679 0.1007
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0303 0.0303
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.001 0.0096 0.0096
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3896 0.3896
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0679 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.636 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) = 3.5481 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) 8.4936 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 37.933 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) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 89.1251 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

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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