Detailed information for compound 1324687

Basic information

Technical information
  • TDR Targets ID: 1324687
  • Name: ethyl 5-[2-hydroxy-3-(4-methylpiperidin-1-yl) propoxy]-1,2-dimethylindole-3-carboxylate hyd rochloride
  • MW: 424.961 | Formula: C22H33ClN2O4
  • H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1CCC(CC1)C)O)cc2)C.Cl
  • InChi: 1S/C22H32N2O4.ClH/c1-5-27-22(26)21-16(3)23(4)20-7-6-18(12-19(20)21)28-14-17(25)13-24-10-8-15(2)9-11-24;/h6-7,12,15,17,25H,5,8-11,13-14H2,1-4H3;1H
  • InChiKey: RZKGATFYRKNIHD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-[2-hydroxy-3-(4-methyl-1-piperidyl)propoxy]-1,2-dimethyl-indole-3-carboxylate hydrochloride
  • 5-[2-hydroxy-3-(4-methyl-1-piperidinyl)propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester hydrochloride
  • 5-[2-hydroxy-3-(4-methyl-1-piperidyl)propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester hydrochloride
  • ethyl 5-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-indole-3-carboxylate hydrochloride
  • ethyl 5-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-1H-indole-3-carboxylate
  • MLS000120434
  • SMR000102048

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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 japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Trichomonas vaginalis ap endonuclease, putative 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense apurinic/apyrimidinic 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0814 0.0814
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0814 0.0814
Brugia malayi beta-lactamase family protein 0.0043 0.0814 0.1085
Brugia malayi FAD binding domain containing protein 0.011 0.344 0.4582
Leishmania major cytochrome P450 reductase, putative 0.0159 0.5325 0.8698
Brugia malayi flavodoxin family protein 0.0179 0.6122 0.8155
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0814 0.133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.147 0.1958
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0179 0.6122 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0179 0.6122 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1984 0.3241
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0068 0.1792 0.2462
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.147 0.1958
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0814 0.0814
Trichomonas vaginalis sulfite reductase, putative 0.0179 0.6122 0.8412
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0179 0.6122 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0179 0.6122 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0089 0.2589 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0068 0.1792 0.2927
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0814 0.1119
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.7277 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0068 0.1792 0.2927
Mycobacterium ulcerans lipase LipD 0.0043 0.0814 0.133
Mycobacterium tuberculosis Conserved protein 0.0043 0.0814 0.0814
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0068 0.1792 0.2462
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1275 0.2083
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0814 0.1119
Chlamydia trachomatis sulfite reductase 0.011 0.344 0.5
Leishmania major p450 reductase, putative 0.0179 0.6122 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0179 0.6122 1
Brugia malayi FAD binding domain containing protein 0.0179 0.6122 0.8155
Echinococcus granulosus methionine synthase reductase 0.011 0.344 0.5619
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1984 0.7664
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.1085
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0814 0.1119
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0814 0.1119
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0814 0.133
Giardia lamblia Nitric oxide synthase, inducible 0.0159 0.5325 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1275 0.2083
Treponema pallidum flavodoxin 0.0068 0.1792 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1275 0.1699
Trichomonas vaginalis esterase, putative 0.0043 0.0814 0.1119
Entamoeba histolytica type A flavoprotein, putative 0.0068 0.1792 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0814 0.5
Brugia malayi beta-lactamase 0.0043 0.0814 0.1085
Entamoeba histolytica type A flavoprotein, putative 0.0068 0.1792 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.147 0.1958
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0068 0.1792 0.2927
Loa Loa (eye worm) hypothetical protein 0.0041 0.0723 0.0963
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0723 0.0963
Plasmodium vivax flavodoxin domain containing protein 0.0159 0.5325 0.8698
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0814 0.0814
Leishmania major hypothetical protein, conserved 0.0068 0.1792 0.2927
Onchocerca volvulus 0.0043 0.0814 0.5
Echinococcus multilocularis methionine synthase reductase 0.011 0.344 0.5619
Brugia malayi beta-lactamase family protein 0.0043 0.0814 0.1085
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0814 0.133
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0814 0.133
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0814 0.133
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1984 0.3241
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.1085
Loa Loa (eye worm) FAD binding domain-containing protein 0.011 0.344 0.4582
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0179 0.6122 1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.7507 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.1085
Mycobacterium leprae Probable lipase LipE 0.0043 0.0814 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.6122 0.8155
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0159 0.5325 0.7317
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0814 0.133
Schistosoma mansoni diflavin oxidoreductase 0.0089 0.2589 0.4229
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0814 0.133
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.1085
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0179 0.6122 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0814 0.0814
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1984 0.1984
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0068 0.1792 0.2927
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1275 0.1699
Onchocerca volvulus 0.0043 0.0814 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0179 0.6122 0.8155
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0179 0.6122 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0179 0.6122 1
Entamoeba histolytica type A flavoprotein, putative 0.0068 0.1792 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1984 0.3241
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0814 0.133
Loa Loa (eye worm) hypothetical protein 0.0214 0.7507 1
Entamoeba histolytica type A flavoprotein, putative 0.0068 0.1792 1
Schistosoma mansoni cytochrome P450 reductase 0.0179 0.6122 1
Schistosoma mansoni hypothetical protein 0.0041 0.0723 0.1181
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.1085
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0179 0.6122 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1275 0.2083
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0814 0.1119
Loa Loa (eye worm) hypothetical protein 0.006 0.147 0.1958
Trypanosoma cruzi p450 reductase, putative 0.0179 0.6122 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0068 0.1792 0.2927
Schistosoma mansoni NADPH flavin oxidoreductase 0.009 0.2642 0.4316
Entamoeba histolytica type A flavoprotein, putative 0.0068 0.1792 1
Plasmodium falciparum nitric oxide synthase, putative 0.0179 0.6122 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0179 0.6122 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1984 0.3241
Toxoplasma gondii ABC1 family protein 0.0043 0.0814 0.3145
Loa Loa (eye worm) flavodoxin family protein 0.0068 0.1792 0.2387
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1984 0.3241
Loa Loa (eye worm) hypothetical protein 0.0043 0.0814 0.1085
Giardia lamblia Hypothetical protein 0.0159 0.5325 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0814 0.133
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0179 0.6122 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1984 0.3241
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0068 0.1792 0.2927
Mycobacterium ulcerans beta-lactamase 0.0043 0.0814 0.133
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1984 0.3241
Plasmodium vivax hypothetical protein, conserved 0.0068 0.1792 0.2927
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0814 0.0814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1275 0.2083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1275 0.2083
Mycobacterium tuberculosis Conserved protein 0.0043 0.0814 0.0814
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0179 0.6122 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0179 0.6122 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1984 0.3241
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.011 0.344 0.5619
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0814 0.133
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1275 0.2083
Loa Loa (eye worm) beta-lactamase 0.0043 0.0814 0.1085
Toxoplasma gondii flavodoxin domain-containing protein 0.0089 0.2589 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0068 0.1792 0.2462
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0068 0.1792 0.2462
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0814 0.1085
Mycobacterium tuberculosis Conserved protein 0.0043 0.0814 0.0814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1275 0.2083
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0814 0.0814
Mycobacterium ulcerans hypothetical protein 0.0043 0.0814 0.133
Leishmania major hypothetical protein, conserved 0.0043 0.0814 0.133
Onchocerca volvulus 0.0043 0.0814 0.5
Brugia malayi flavodoxin family protein 0.0068 0.1792 0.2387
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0814 0.1085

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 56.32 uM PubChem BioAssay. Identification of Inhibitors of RAD54 Measured in Biochemical System Using Plate Reader - 2159-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 0 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (functional) 1.9953 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) = 3.1623 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) 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 Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 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) 89.1251 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

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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