Detailed information for compound 566022

Basic information

Technical information
  • TDR Targets ID: 566022
  • Name: [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h ]chromen-8-yl]ethyl] (Z)-2-methylbut-2-enoate
  • MW: 328.359 | Formula: C19H20O5
  • H donors: 0 H acceptors: 2 LogP: 3.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C=C(\C(=O)OC([C@H]1Oc2c(C1)c1oc(=O)ccc1cc2)(C)C)/C
  • InChi: 1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1
  • InChiKey: JRIBPWOXWIRQOQ-GHAIFCDISA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-methyl-2-butenoic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h][1]benzopyran-8-yl]ethyl] ester
  • 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
  • (Z)-2-methylbut-2-enoic acid [1-[(8S)-2-keto-8,9-dihydrofuro[2,3-h]chromen-8-yl]-1-methyl-ethyl] ester
  • columbianadin
  • 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
  • [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] (Z)-2-methylbut-2-enoate
  • (Z)-2-methylbut-2-enoic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester
  • (Z)-2-methylbut-2-enoic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester
  • 5058-13-9
  • 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-
  • AIDS-071122
  • 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))-
  • Zosimin
  • MLS000574825
  • SMR000156217
  • AIDS071122

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0514 0.1069
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.3216 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1091 0.1091
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0583 0.4967
Loa Loa (eye worm) IRE protein kinase 0.0232 0.4134 0.4134
Schistosoma mansoni hypothetical protein 0.0019 0.0115 0.0035
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0248 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0725 0.6372
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.0081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0993 0.9031
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0575 0.0575
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0115 0.0115
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0248 0.1654
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0232 0.4134 0.4134
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Toxoplasma gondii ABC1 family protein 0.0071 0.1091 1
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1091 0.3223
Loa Loa (eye worm) cysteine protease 0.0017 0.0081 0.0081
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0229 0.3411
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.2567 0.2507
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0614 0.0614
Echinococcus granulosus Aminotransferase class III 0.0026 0.0248 0.0248
Onchocerca volvulus 0.0071 0.1091 1
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0248 0.1654
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0725 0.0725
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0262 0.0262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0614 0.0614
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0583 0.4967
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0019 0.0115 0.0035
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0248 0.0222
Brugia malayi Cathepsin L-like precursor 0.0017 0.0081 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0614 0.0537
Echinococcus granulosus lamin 0.0027 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0071 0.1091 0.1091
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0118 0.1972 0.6032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0184 0.0255
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0184 0.033
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0248 0.0248
Mycobacterium ulcerans hypothetical protein 0.0071 0.1091 0.2992
Echinococcus multilocularis GPCR, family 2 0.0019 0.0115 0.0115
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0081 0.0081
Schistosoma mansoni lamin 0.0027 0.0262 0.0182
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0725 0.5959
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0115 0.0115
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0248 0.0248
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.1091 0.1091
Brugia malayi Cathepsin L-like precursor 0.0017 0.0081 0.0054
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1091 0.3223
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0583 0.1601
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.1091 0.2992
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0614 0.0614
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.2567 0.2547
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0081 0.0081
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0229 0.1462
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1091 0.1019
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0229 0.1462
Loa Loa (eye worm) hypothetical protein 0.0071 0.1091 0.1091
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0248 0.0211
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.1091 0.112
Brugia malayi intermediate filament protein 0.0027 0.0262 0.0235
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.3216 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0184 0.1022
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0184 0.5
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0248 0.0079
Schistosoma mansoni ap endonuclease 0.0023 0.0184 0.0104
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0725 0.6372
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0891 0.0866
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0891 0.0866
Loa Loa (eye worm) beta-lactamase 0.0071 0.1091 0.1091
Schistosoma mansoni serine/threonine protein kinase 0.012 0.2015 0.195
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0614 0.0614
Schistosoma mansoni hypothetical protein 0.0041 0.0532 0.0455
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.1091 0.1091
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0725 0.2054
Loa Loa (eye worm) hypothetical protein 0.0071 0.1091 0.1091
Brugia malayi hypothetical protein 0.0043 0.0575 0.055
Mycobacterium tuberculosis Conserved protein 0.0071 0.1091 0.112
Loa Loa (eye worm) acetyltransferase 0.0149 0.2567 0.2567
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0184 0.1022
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0583 0.1601
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0575 0.0498
Loa Loa (eye worm) fibroinase 0.0017 0.0081 0.0081
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.1091 0.112
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.3216 0.3742
Brugia malayi beta-lactamase 0.0071 0.1091 0.1067
Loa Loa (eye worm) ctsf protein 0.0017 0.0081 0.0081
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0184 0.033
Plasmodium vivax hypothetical protein, conserved 0.0071 0.1091 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Loa Loa (eye worm) hypothetical protein 0.0019 0.0115 0.0115
Brugia malayi Cathepsin L-like precursor 0.0017 0.0081 0.0054
Brugia malayi MAP kinase sur-1 0.0051 0.0725 0.07
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0614 0.0588
Schistosoma mansoni hypothetical protein 0.0019 0.0115 0.0035
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.1091 0.2992
Leishmania major hypothetical protein, conserved 0.0025 0.0229 0.1462
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0725 1
Entamoeba histolytica hypothetical protein 0.0043 0.0575 0.1219
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0229 0.3411
Loa Loa (eye worm) hypothetical protein 0.006 0.0891 0.0891
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0184 0.0184
Brugia malayi Cathepsin L-like precursor 0.0017 0.0081 0.0054
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0248 0.5
Mycobacterium ulcerans lipase LipD 0.0071 0.1091 0.2992
Schistosoma mansoni lamin 0.0027 0.0262 0.0182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.1091 0.1067
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0532 0.0506
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0248 0.0079
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0184 0.2386
Entamoeba histolytica hypothetical protein 0.0043 0.0575 0.1219
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0248 0.0211
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0725 0.6372
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0891 0.0891
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.3216 1
Echinococcus multilocularis cysteine protease 0.0017 0.0081 0.0081
Toxoplasma gondii exonuclease III APE 0.0023 0.0184 0.1022
Echinococcus granulosus cathepsin l1 0.0017 0.0081 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0614 0.0537
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0886 0.7969
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0081 0.0081
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0725 0.0725
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0041 0.0532 0.0532
Brugia malayi beta-lactamase family protein 0.0071 0.1091 0.1067
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0262 0.0235
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0184 0.0158
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0453 0.8287 1
Schistosoma mansoni hypothetical protein 0.0043 0.0575 0.0498
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0248 0.386
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0115 0.0088
Brugia malayi hypothetical protein 0.0016 0.0061 0.0034
Mycobacterium ulcerans hypothetical protein 0.0184 0.3216 1
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.1091 0.112
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0993 0.9031
Onchocerca volvulus 0.0071 0.1091 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0184 0.0184
Brugia malayi Cathepsin L-like precursor 0.0017 0.0081 0.0054
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.2489 0.2489
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0184 0.1022
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0248 0.0079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Echinococcus granulosus intermediate filament protein 0.0027 0.0262 0.0262
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0081 0.0081
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0248 0.0211
Mycobacterium leprae Probable lipase LipE 0.0071 0.1091 0.2841
Mycobacterium tuberculosis Conserved protein 0.0071 0.1091 0.112
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0725 0.2054
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1091 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0115 0.0088
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0725 0.6372
Onchocerca volvulus 0.0027 0.0262 0.1789
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0025 0.0229 0.0229
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0583 0.0583
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.3216 0.3742
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1091 0.3223
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0514 0.61
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0993 0.9031
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0575 0.0575
Onchocerca volvulus 0.0071 0.1091 1
Echinococcus granulosus GPCR family 2 0.0019 0.0115 0.0115
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0725 0.2054
Echinococcus granulosus c-Jun N-terminal kinases 0.0543 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0262 0.0262
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1091 0.3223
Schistosoma mansoni serine/threonine protein kinase 0.0543 1 1
Brugia malayi Ribonuclease 2-5A family protein 0.0232 0.4134 0.4118
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0248 0.0248
Entamoeba histolytica hypothetical protein 0.0043 0.0575 0.1219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.1091 0.112
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.1091 0.1091
Leishmania major hypothetical protein, conserved 0.0071 0.1091 1
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0993 0.9031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0543 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0115 0.0115
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1091 0.3223
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0725 0.2054
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0248 0.0211
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0514 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0725 0.6372
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0248 0.0211
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0229 0.1462
Loa Loa (eye worm) hypothetical protein 0.0026 0.0252 0.0252
Onchocerca volvulus 0.0027 0.0262 0.1789
Echinococcus multilocularis cysteine protease 0.0017 0.0081 0.0081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0993 0.8921
Leishmania major cathepsin L-like protease 0.0066 0.0993 0.9031
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0229 0.049
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1091 1
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.1091 1
Trypanosoma brucei protein kinase, putative 0.0051 0.0725 0.5959
Mycobacterium leprae conserved hypothetical protein 0.0071 0.1091 0.2841
Mycobacterium ulcerans beta-lactamase 0.0071 0.1091 0.2992
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0248 0.0169
Mycobacterium tuberculosis Conserved protein 0.0071 0.1091 0.112
Echinococcus multilocularis lamin 0.0027 0.0262 0.0262
Schistosoma mansoni ap endonuclease 0.0023 0.0184 0.0104
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0027 0.0027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1091 0.1019
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0543 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1091 0.1091
Trichomonas vaginalis esterase, putative 0.0071 0.1091 0.3223
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0725 0.6372
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.1091 0.112
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0229 0.1462
Leishmania major cathepsin L-like protease 0.0066 0.0993 0.9031
Entamoeba histolytica hypothetical protein 0.0043 0.0575 0.1219
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0725 0.0725
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0262 0.0262
Brugia malayi hypothetical protein 0.0025 0.0229 0.0202
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0081 0.0054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0081 0.0081
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0184 0.1022
Entamoeba histolytica protein kinase, putative 0.0232 0.4134 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.1091 0.112
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0115 0.0115
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0081 0.0081
Brugia malayi beta-lactamase family protein 0.0071 0.1091 0.1067
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0232 0.4134 0.4134
Schistosoma mansoni hypothetical protein 0.0019 0.0115 0.0035
Echinococcus granulosus lamin dm0 0.0027 0.0262 0.0262
Brugia malayi Cathepsin L-like precursor 0.0017 0.0081 0.0054
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0248 0.0079
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0184 0.0184
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0725 0.6372
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0081 0.0081
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.2567 0.2567
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0725 0.0649
Entamoeba histolytica protein kinase, putative 0.0232 0.4134 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.0248 0.0211
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.1091 0.112
Loa Loa (eye worm) hypothetical protein 0.0071 0.1091 0.1091
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0583 0.4967
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0614 0.0614
Echinococcus multilocularis lamin dm0 0.0027 0.0262 0.0262
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0729 0.641
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.1972 0.6032
Schistosoma mansoni intermediate filament proteins 0.0027 0.0262 0.0182
Leishmania major cathepsin L-like protease 0.0066 0.0993 0.9031
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0248 0.0248
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0115 0.0115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0614 0.0537
Echinococcus multilocularis musashi 0.0027 0.0262 0.0262

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 0.389 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Activity (binding) = 73.39 % Estrogenic activity at ERalpha in human MVLN cells at 100 ug/mL after 24 hrs by luciferase reporter gene assay relative to E2 ChEMBL. 22137340
Activity (binding) = 79.69 % Estrogenic activity at ERalpha in human MVLN cells at 20 ug/mL after 24 hrs by luciferase reporter gene assay relative to E2 ChEMBL. 22137340
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 14.581 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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 Substrates 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 Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae 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

1 literature reference was collected for this gene.

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