Detailed information for compound 1311914

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.414 | Formula: C20H23N3O4
  • H donors: 0 H acceptors: 2 LogP: 3.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cc(cc1OC)c1noc(c1c1ccc(nc1)N(C)C)C
  • InChi: 1S/C20H23N3O4/c1-12-18(13-7-8-17(21-11-13)23(2)3)19(22-27-12)14-9-15(24-4)20(26-6)16(10-14)25-5/h7-11H,1-6H3
  • InChiKey: YYKVLRQUTRJDFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Echinococcus granulosus 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi isocitrate dehydrogenase, 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
Candida albicans C terminus of cytosolic 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 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Echinococcus multilocularis isocitrate dehydrogenase 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase 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
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
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 hypothetical protein 0.003 0.01 0.0079
Trypanosoma cruzi aldo-keto reductase 0.1455 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.1455 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 0.2817 0.2781
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0422 0.2817 0.2802
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.019 0.017
Onchocerca volvulus 0.1455 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.019 0.017
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.005 0.0029
Onchocerca volvulus 0.1455 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0422 0.2817 0.2802
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.005 0.0029
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.005 0.005
Brugia malayi beta-lactamase 0.0043 0.019 0.017
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.019 0.017
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 0.2817 0.2781
Toxoplasma gondii aldo-keto reductase 0.0422 0.2817 0.2802
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.019 0.0141
Entamoeba histolytica aldose reductase, putative 0.1455 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.005 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.019 0.0141
Echinococcus granulosus aldo keto reductase 0.1455 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.005 0.0029
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0021 0.0021
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.005 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Onchocerca volvulus 0.1455 1 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.019 0.0141
Mycobacterium tuberculosis Conserved protein 0.0043 0.019 0.017
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Trypanosoma brucei unspecified product 0.0023 0.005 0.005
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0422 0.2817 0.2802
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Echinococcus multilocularis aldo keto reductase 0.1455 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.01 0.0282
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.005 0.0029
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.005 0.0029
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.01 0.0282
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Toxoplasma gondii ABC1 family protein 0.0043 0.019 0.017
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Mycobacterium ulcerans lipase LipD 0.0043 0.019 0.0141
Entamoeba histolytica alcohol dehydrogenase, putative 0.0422 0.2817 0.2781
Brugia malayi beta-lactamase family protein 0.0043 0.019 0.017
Echinococcus multilocularis dna polymerase eta 0.0023 0.005 0.0029
Leishmania major prostaglandin f synthase, putative 0.1455 1 1
Loa Loa (eye worm) hypothetical protein 0.1455 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.019 0.0141
Loa Loa (eye worm) oxidoreductase 0.1455 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Schistosoma mansoni aldo-keto reductase 0.1455 1 1
Loa Loa (eye worm) oxidoreductase 0.1455 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.019 0.017
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Schistosoma mansoni aldo-keto reductase 0.1455 1 1
Mycobacterium leprae Possible oxidoreductase 0.0422 0.2817 0.2678
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0422 0.2817 0.2802
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0422 0.2817 0.2802
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.005 0.005
Loa Loa (eye worm) oxidoreductase 0.1455 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0021 0.0021
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Mycobacterium tuberculosis Conserved protein 0.0422 0.2817 0.2802
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.019 0.017
Onchocerca volvulus 0.1455 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Entamoeba histolytica aldose reductase, putative 0.1455 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.019 0.017
Onchocerca volvulus 0.0422 0.2817 0.2678
Trichomonas vaginalis aldo/keto reductase, putative 0.1455 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.019 0.017
Echinococcus granulosus aldo keto reductase 0.1455 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1455 1 1
Brugia malayi hypothetical protein 0.002 0.0025 0.0004
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.005 0.0029
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1455 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.019 0.017
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.005 0.0029
Loa Loa (eye worm) hypothetical protein 0.0043 0.019 0.017
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.019 0.017
Trichomonas vaginalis esterase, putative 0.0043 0.019 0.0141
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.019 0.017
Trypanosoma cruzi aldo/keto reductase, putative 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.005 0.0029
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.019 0.017
Echinococcus granulosus geminin 0.0205 0.131 0.1292
Loa Loa (eye worm) hypothetical protein 0.0043 0.019 0.017
Onchocerca volvulus 0.1455 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.019 0.0606
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.019 0.017
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0422 0.2817 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0422 0.2817 0.2802
Echinococcus granulosus aldo keto reductase 0.1455 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0422 0.2817 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Echinococcus multilocularis aldo keto reductase 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.019 0.0141
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0422 0.2817 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0422 0.2817 0.2802
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 0.2817 0.2781
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.019 0.0141
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.019 0.017
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.01 0.01
Echinococcus granulosus hypothetical protein 0.1455 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.019 0.017
Leishmania major hypothetical protein, conserved 0.003 0.01 0.0079
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.01 0.0079
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.019 0.017
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.019 0.0141
Leishmania major DNA polymerase eta, putative 0.0023 0.005 0.0029
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0422 0.2817 0.2781
Trypanosoma brucei aldo/keto reductase, putative 0.0422 0.2817 0.2817
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0205 0.131 0.1292
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.0029
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.005 0.0029
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1455 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1455 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0422 0.2817 0.2781
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.005 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.019 0.0141
Brugia malayi beta-lactamase family protein 0.0043 0.019 0.017
Entamoeba histolytica alcohol dehydrogenase, putative 0.0422 0.2817 0.2781
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1455 1 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.005 0.0029
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1455 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.019 0.0141
Mycobacterium tuberculosis Probable oxidoreductase 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Giardia lamblia Aldose reductase 0.1455 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0043 0.019 0.017
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0422 0.2817 0.2802
Echinococcus multilocularis aldo keto reductase 0.1455 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0422 0.2817 0.2802
Trichomonas vaginalis aldo/keto reductase, putative 0.1455 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.005 0.0029
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.005 0.0029
Schistosoma mansoni hypothetical protein 0.0205 0.131 0.1292
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.019 0.017
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.005 0.0029
Echinococcus multilocularis aldo keto reductase 0.1455 1 1
Onchocerca volvulus 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.019 0.017
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1455 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.01 0.0079
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.005 0.0029
Brugia malayi NADH-dependent xylose reductase 0.0422 0.2817 0.2802
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.019 0.017
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.005 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.089 0.0871
Leishmania major hypothetical protein, conserved 0.0043 0.019 0.017
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.019 0.019
Plasmodium vivax aldehyde reductase, putative 0.0422 0.2817 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1818 0.1801
Leishmania major DNA polymerase kappa, putative 0.0023 0.005 0.0029
Echinococcus multilocularis geminin 0.0205 0.131 0.1292
Schistosoma mansoni DNA polymerase eta 0.0023 0.005 0.0029
Entamoeba histolytica aldose reductase, putative 0.1455 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1455 1 1
Schistosoma mansoni potassium channel beta 0.0422 0.2817 0.2802
Loa Loa (eye worm) oxidoreductase 0.1455 1 1
Mycobacterium leprae Conserved hypothetical protein 0.1034 0.7071 0.7014
Trichomonas vaginalis aldo-keto reductase, putative 0.1455 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.019 0.017
Toxoplasma gondii aldose reductase, putative 0.1455 1 1
Trypanosoma brucei prostaglandin f synthase 0.1455 1 1
Giardia lamblia Aldose reductase 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1455 1 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.019 0.017
Loa Loa (eye worm) oxidoreductase 0.1455 1 1
Leishmania major aldo-keto reductase-like protein 0.1455 1 1
Mycobacterium ulcerans oxidoreductase 0.1455 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1455 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.089 0.0871
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.01 0.0282
Trichomonas vaginalis aldo/keto reductase, putative 0.1455 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.01 0.0079
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.005 0.0029
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6691 0.6685
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.019 0.017
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1455 1 1
Echinococcus multilocularis aldehyde reductase 0.1034 0.7071 0.7065
Echinococcus granulosus aldehyde reductase 0.1034 0.7071 0.7065
Schistosoma mansoni pol-related 0.1455 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.005 0.0029
Mycobacterium ulcerans hypothetical protein 0.0422 0.2817 0.2781
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.089 0.0871

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.174 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 15.685 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.0058 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) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2909 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) = 0.3162 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) 0.3162 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 2.9081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.5733 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) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.