Detailed information for compound 834395

Basic information

Technical information
  • TDR Targets ID: 834395
  • Name: 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sul fonylamino]-N-(3-methylbutyl)-2-phenylacetami de
  • MW: 472.557 | Formula: C23H28N4O5S
  • H donors: 2 H acceptors: 5 LogP: 2.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(c(=O)n2C)C)C
  • InChi: 1S/C23H28N4O5S/c1-15(2)12-13-24-21(28)20(16-8-6-5-7-9-16)25-33(31,32)17-10-11-19-18(14-17)22(29)27(4)23(30)26(19)3/h5-11,14-15,20,25H,12-13H2,1-4H3,(H,24,28)
  • InChiKey: OMDFMNRYTPZQRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(1,3-dimethyl-2,4-dioxo-quinazolin-6-yl)sulfonylamino]-N-isopentyl-2-phenyl-acetamide
  • 2-[(1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonylamino]-N-isopentyl-2-phenylacetamide
  • 2-[(2,4-diketo-1,3-dimethyl-quinazolin-6-yl)sulfonylamino]-N-isoamyl-2-phenyl-acetamide
  • 2-[(1,3-dimethyl-2,4-dioxo-quinazolin-6-yl)sulfonylamino]-N-(3-methylbutyl)-2-phenyl-ethanamide
  • MLS000522972
  • SMR000128238

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
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 donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana 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
Mycobacterium ulcerans aldehyde dehydrogenase 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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 mansoni ap endonuclease 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
Neospora caninum hypothetical protein 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0023 0.0152 0.0118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1351 0.231
Echinococcus granulosus methionine tRNA synthetase 0.0026 0.0257 0.0237
Schistosoma mansoni methionine-tRNA synthetase 0.0026 0.0257 0.0237
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0023 0.0152 0.0104
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0026 0.0257 1
Brugia malayi glycyl-tRNA synthetase 0.0054 0.1322 0.1388
Schistosoma mansoni methionine-tRNA synthetase 0.0164 0.541 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0023 0.0152 0.0037
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0023 0.0152 0.0104
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2029 0.3594
Echinococcus multilocularis glycyl tRNA synthetase 0.0054 0.1322 0.2253
Toxoplasma gondii methionyl-tRNA synthetase 0.0041 0.0836 0.3711
Loa Loa (eye worm) hypothetical protein 0.0026 0.0257 0.0146
Trypanosoma cruzi trypanothione reductase, putative 0.0023 0.0152 0.0118
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0023 0.0152 0.1577
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0026 0.0257 0.0658
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0067 0.1794 0.8761
Treponema pallidum leucyl-tRNA synthetase 0.0026 0.0257 0.0213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0632 0.0947
Plasmodium vivax thioredoxin reductase, putative 0.0067 0.1794 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0023 0.0152 0.0118
Toxoplasma gondii NADPH-glutathione reductase 0.0023 0.0152 0.0104
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2029 1
Schistosoma mansoni glycyl-tRNA synthetase 0.0054 0.1322 0.2253
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0104
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.1794 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0026 0.0257 0.0751
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0118
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0133 0.0133
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0026 0.0257 0.0146
Treponema pallidum NADH oxidase 0.0023 0.0152 0.0034
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0023 0.0152 0.0023
Giardia lamblia Methionyl-tRNA synthetase 0.0026 0.0257 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0023 0.0152 0.0118
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0632 0.0947
Brugia malayi methionyl-tRNA synthetase 0.0026 0.0257 0.0146
Plasmodium falciparum thioredoxin reductase 0.0023 0.0152 0.0118
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0133 0.0133
Brugia malayi Thioredoxin reductase 0.0067 0.1794 0.194
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2029 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0257 0.0146
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0118
Echinococcus multilocularis thioredoxin glutathione reductase 0.0067 0.1794 0.3149
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0632 0.0947
Plasmodium vivax hypothetical protein, conserved 0.0026 0.0257 0.0751
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0153 0.5013 0.5697
Echinococcus multilocularis methionine tRNA synthetase 0.0026 0.0257 0.0237
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0026 0.0257 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0026 0.0257 0.0751
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1351 0.231
Schistosoma mansoni leucyl-tRNA synthetase 0.0026 0.0257 0.0237
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2029 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0023 0.0152 0.1577
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0023 0.0152 0.0118
Trichomonas vaginalis mercuric reductase, putative 0.0023 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0164 0.541 0.616
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0023 0.0152 0.0037
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0104
Loa Loa (eye worm) thioredoxin reductase 0.0067 0.1794 0.194
Plasmodium falciparum methionine--tRNA ligase, putative 0.0026 0.0257 0.0751
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0054 0.1322 0.1388
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0026 0.0257 0.0751
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1351 0.1423
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0118
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0118
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0023 0.0152 0.0118
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0054 0.1322 0.1388
Leishmania major leucyl-tRNA synthetase, putative 0.0026 0.0257 0.0658
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2029 1
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0026 0.0257 0.0658
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2029 0.3594
Echinococcus granulosus thioredoxin glutathione reductase 0.0067 0.1794 0.3149
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0164 0.541 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0023 0.0152 0.0104
Plasmodium vivax methionine--tRNA ligase, putative 0.0026 0.0257 0.0751
Brugia malayi glutathione reductase 0.0067 0.1794 0.194
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0054 0.1322 0.1388
Trichomonas vaginalis glutathione reductase, putative 0.0023 0.0152 0.0152
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0023 0.0152 0.0118
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0023 0.0152 0.0118
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0632 0.0947
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0179 0.5989 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8699 1
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0164 0.541 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2029 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0023 0.0152 0.0104
Chlamydia trachomatis methionine--tRNA ligase 0.0164 0.541 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0023 0.0152 0.0118
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0023 0.0152 0.0118
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0632 0.0947
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0023 0.0152 0.0104
Leishmania major methionyl-tRNA synthetase, putative 0.0026 0.0257 0.0658
Plasmodium falciparum thioredoxin reductase 0.0067 0.1794 1
Treponema pallidum methionyl-tRNA synthetase 0.0179 0.5989 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1351 0.231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1351 0.231
Toxoplasma gondii thioredoxin reductase 0.0067 0.1794 0.8761
Trypanosoma brucei trypanothione reductase 0.0067 0.1794 1
Brugia malayi protein ZK524.3 0.0026 0.0257 0.0146
Brugia malayi Pre-SET motif family protein 0.0251 0.8699 1
Echinococcus multilocularis leucyl tRNA synthetase 0.0026 0.0257 0.0237
Leishmania major trypanothione reductase 0.0067 0.1794 0.8761
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0632 0.0947
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0026 0.0257 0.0658
Loa Loa (eye worm) glutathione reductase 0.0067 0.1794 0.194
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0023 0.0152 0.0104
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0023 0.0152 0.0104
Plasmodium falciparum methionine--tRNA ligase 0.0026 0.0257 0.0751
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0026 0.0257 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1351 0.231
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0023 0.0152 0.0037
Mycobacterium tuberculosis Probable oxidoreductase 0.0023 0.0152 0.0104
Giardia lamblia Leucyl-tRNA synthetase 0.0026 0.0257 1
Toxoplasma gondii tRNA ligases class I (M) protein 0.0026 0.0257 0.0658
Plasmodium vivax glutathione reductase, putative 0.0067 0.1794 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0023 0.0152 0.0104
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0023 0.0152 0.0104
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0023 0.0152 0.1577
Brugia malayi methionyl-tRNA synthetase 0.0179 0.5989 0.6836
Plasmodium falciparum glutathione reductase 0.0023 0.0152 0.0118
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0023 0.0152 0.0118
Plasmodium vivax SET domain protein, putative 0.0036 0.0632 0.3008
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0632 0.2635
Brugia malayi Pre-SET motif family protein 0.0036 0.0632 0.0583
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0583 0.0853
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0023 0.0152 0.0118
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2029 0.3594
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1351 0.231
Chlamydia trachomatis leucine--tRNA ligase 0.0026 0.0257 0.02
Echinococcus granulosus glycyl tRNA synthetase 0.0054 0.1322 0.2253
Plasmodium falciparum glutathione reductase 0.0067 0.1794 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0632 0.0583
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2029 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1351 0.231
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2029 0.3594
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0026 0.0257 0.0257
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1351 0.1423
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0632 0.0947

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.005 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.8913 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 Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.1254 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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

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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