Detailed information for compound 1439988

Basic information

Technical information
  • TDR Targets ID: 1439988
  • Name: 6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-[1]b enzoxolo[2,3-c]azepin-1-one
  • MW: 375.013 | Formula: C12H9Br2NO3
  • H donors: 2 H acceptors: 2 LogP: 3.35 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCCc2c1oc1c2c(Br)c(c(c1)Br)O
  • InChi: 1S/C12H9Br2NO3/c13-6-4-7-8(9(14)10(6)16)5-2-1-3-15-12(17)11(5)18-7/h4,16H,1-3H2,(H,15,17)
  • InChiKey: AJBFRFDRURUSAE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydrobenzofurano[2,3-c]azepin-1-one
  • SMR000019964
  • A3497/0148296
  • ZINC01423155
  • 6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c]azepin-1-one
  • MLS000043345

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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 Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
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
Echinococcus multilocularis acetylcholinesterase 0.6425 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.1086 0.1667 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1086 0.1667 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0069 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1086 0.1667 0.1647
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0037 0.0014
Trypanosoma brucei protein kinase, putative 0.0062 0.0069 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0087 0.0064
Loa Loa (eye worm) hypothetical protein 0.0032 0.0023 0.0023
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0069 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.1086 0.1667 0.1647
Schistosoma mansoni BC026374 protein (S09 family) 0.1086 0.1667 0.1647
Brugia malayi Carboxylesterase family protein 0.1086 0.1667 0.1667
Brugia malayi MAP kinase sur-1 0.0062 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0043 0.0041 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0087 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1273 0.1253
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0041 0.0017
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0024 0.0024
Brugia malayi Carboxylesterase family protein 0.1086 0.1667 0.1667
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0069 0.6303
Echinococcus multilocularis neuroligin 0.1086 0.1667 0.1647
Onchocerca volvulus Huntingtin homolog 0.0148 0.0204 0.1096
Onchocerca volvulus 0.1086 0.1667 1
Entamoeba histolytica hypothetical protein 0.0043 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0081 0.0057
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0081 0.0057
Brugia malayi hypothetical protein 0.0148 0.0204 0.0204
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0074 0.0074
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1086 0.1667 0.1647
Echinococcus multilocularis carboxylesterase 5A 0.6425 1 1
Echinococcus granulosus acetylcholinesterase 0.6425 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0033 0.0024 0.0024
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0069 1
Onchocerca volvulus 0.1086 0.1667 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0069 1
Loa Loa (eye worm) carboxylesterase 0.1086 0.1667 0.1667
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0081 0.873
Echinococcus granulosus para nitrobenzyl esterase 0.1086 0.1667 0.1647
Mycobacterium tuberculosis Carboxylesterase LipT 0.1086 0.1667 1
Schistosoma mansoni hypothetical protein 0.0043 0.0041 0.0017
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0087 0.004
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0024 0.0024
Echinococcus granulosus acetylcholinesterase 0.6425 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.1086 0.1667 0.1647
Brugia malayi hypothetical protein 0.0043 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0148 0.0204 0.0204
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0087 0.0064
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0087 0.0064
Schistosoma mansoni neuroligin 3 (S09 family) 0.1086 0.1667 0.1647
Brugia malayi hypothetical protein 0.1086 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.6425 1 1
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0087 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0087 0.0064
Onchocerca volvulus Huntingtin homolog 0.0148 0.0204 0.1096
Schistosoma mansoni acetylcholinesterase 0.1086 0.1667 0.1647
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0041 0.0017
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1273 0.1253
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0069 0.6303
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0069 0.0045
Onchocerca volvulus 0.1086 0.1667 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.6425 1 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0037 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.1086 0.1667 0.1647
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.1086 0.1667 1
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Schistosoma mansoni gliotactin 0.1086 0.1667 0.1647
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0087 0.004
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0081 0.0057
Echinococcus multilocularis acetylcholinesterase 0.6425 1 1
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0069 0.0045
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0037 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1086 0.1667 0.1647
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0069 1
Echinococcus granulosus neuroligin 0.1086 0.1667 0.1647
Brugia malayi Carboxylesterase family protein 0.1086 0.1667 0.1667
Brugia malayi Carboxylesterase family protein 0.6425 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1086 0.1667 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0069 0.0045
Trichomonas vaginalis spcc417.12 protein, putative 0.1086 0.1667 1
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0037 0.0014
Loa Loa (eye worm) hypothetical protein 0.1086 0.1667 0.1667
Entamoeba histolytica hypothetical protein 0.0043 0.0041 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0087 0.004
Brugia malayi Augmenter of liver regeneration 0.0041 0.0037 0.0037
Loa Loa (eye worm) acetylcholinesterase 1 0.6425 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.6425 1 1
Loa Loa (eye worm) carboxylesterase 0.6425 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0069 0.0045
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1273 0.1253
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0041 0.0017
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0069 0.0069
Brugia malayi intermediate filament protein 0.0033 0.0024 0.0024
Onchocerca volvulus 0.1086 0.1667 1
Brugia malayi Carboxylesterase family protein 0.1086 0.1667 0.1667
Loa Loa (eye worm) carboxylesterase 0.1086 0.1667 0.1667
Echinococcus granulosus carboxylesterase 5A 0.6425 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0069 0.0045
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0024 0.0024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0087 0.004
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0069 1
Onchocerca volvulus 0.1086 0.1667 1
Echinococcus multilocularis para nitrobenzyl esterase 0.1086 0.1667 0.1647
Loa Loa (eye worm) hypothetical protein 0.0148 0.0204 0.0204
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0037 0.0037
Echinococcus granulosus BC026374 protein S09 family 0.1086 0.1667 0.1647
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0069 0.6303

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 3.505 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) = 10 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) 25.929 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) 35.4813 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) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 100 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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