Detailed information for compound 1419536

Basic information

Technical information
  • TDR Targets ID: 1419536
  • Name: 6-methoxy-3-[[oxolan-2-ylmethyl-[[1-(phenylme thyl)tetrazol-5-yl]methyl]amino]methyl]-1H-qu inolin-2-one
  • MW: 460.528 | Formula: C25H28N6O3
  • H donors: 1 H acceptors: 5 LogP: 3.15 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)cc(c(n2)O)CN(Cc1nnnn1Cc1ccccc1)CC1CCCO1
  • InChi: 1S/C25H28N6O3/c1-33-21-9-10-23-19(13-21)12-20(25(32)26-23)15-30(16-22-8-5-11-34-22)17-24-27-28-29-31(24)14-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,22H,5,8,11,14-17H2,1H3,(H,26,32)
  • InChiKey: GJMNUJOXQRUNPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methoxy-3-[[[1-(phenylmethyl)tetrazol-5-yl]methyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
  • 6-methoxy-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(2-tetrahydrofuranylmethyl)amino]methyl]-1H-quinolin-2-one
  • 3-[[[1-(benzyl)tetrazol-5-yl]methyl-(tetrahydrofurfuryl)amino]methyl]-6-methoxy-carbostyril
  • 6-methoxy-3-[[oxolan-2-ylmethyl-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
  • MLS000880760
  • ASN 04370256
  • Oprea1_806017
  • 3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-6-methoxy-1H-quinolin-2-one
  • MLS000032018
  • SMR000003224

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum exodeoxyribonuclease (exoA) 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 parvum conserved hypothetical protein 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
Brugia malayi exodeoxyribonuclease III family protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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 DNA-(apurinic or apyrimidinic site) lyase 2, 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
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
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Echinococcus multilocularis 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
Neospora caninum hypothetical protein 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani 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
Toxoplasma gondii exonuclease III APE 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei gambiense 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
Trichomonas vaginalis ap endonuclease, 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trypanosoma cruzi 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GPCR family 2 0.0164 0.1507 0.2206
Brugia malayi latrophilin 2 splice variant baaae 0.0354 0.3537 0.3537
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Brugia malayi MH1 domain containing protein 0.0036 0.0143 0.0143
Loa Loa (eye worm) MH1 domain-containing protein 0.0029 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0105 0.0881 0.0881
Echinococcus multilocularis mothers against decapentaplegic 5 0.0065 0.0455 0.0666
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0663 0.6833 1
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0028 0.0061 0.0061
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0065 0.0455 0.0666
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0028 0.0061 1
Loa Loa (eye worm) G protein alpha subunit 3 0.0028 0.0061 0.0061
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2744 0.2744
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0663 0.6833 0.6833
Schistosoma mansoni hypothetical protein 0.0354 0.3537 0.5177
Brugia malayi G-protein alpha subunit 0.0028 0.0061 0.0061
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0164 0.1507 0.2206
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0518 0.5287 0.5287
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0317 0.3145 0.3145
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0028 0.0061 0.009
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0065 0.0455 0.0666
Loa Loa (eye worm) MH1 domain-containing protein 0.0065 0.0455 0.0455
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0881 1
Schistosoma mansoni Smad4 0.0065 0.0455 0.0666
Leishmania major hypothetical protein, conserved 0.0105 0.0881 1
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0028 0.0061 0.009
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0028 0.0061 0.009
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0028 0.0061 0.009
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0028 0.0061 0.0061
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0028 0.0061 0.0061
Loa Loa (eye worm) TAR-binding protein 0.0317 0.3145 0.3145
Schistosoma mansoni Smad4 0.0029 0.0069 0.0102
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0028 0.0061 0.009
Brugia malayi MH1 domain containing protein 0.0036 0.0143 0.0143
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0028 0.0061 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0028 0.0061 1
Loa Loa (eye worm) RNA binding protein 0.0317 0.3145 0.3145
Echinococcus granulosus tar DNA binding protein 0.0317 0.3145 0.4602
Entamoeba histolytica G protein alpha subunit, putative 0.0028 0.0061 1
Schistosoma mansoni tar DNA-binding protein 0.0317 0.3145 0.4602
Schistosoma mansoni tar DNA-binding protein 0.0317 0.3145 0.4602
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0663 0.6833 1
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0028 0.0061 0.009
Echinococcus granulosus mothers against decapentaplegic 2 0.0029 0.0069 0.0102
Brugia malayi Smad1 0.0065 0.0455 0.0455
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0028 0.0061 0.0061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0518 0.5287 0.5287
Brugia malayi Latrophilin receptor protein 2 0.0164 0.1507 0.1507
Echinococcus multilocularis GPCR, family 2 0.0164 0.1507 0.2206
Brugia malayi MH1 domain containing protein 0.0065 0.0455 0.0455
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0663 0.6833 1
Brugia malayi MH2 domain containing protein 0.0065 0.0455 0.0455
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0028 0.0061 0.009
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0028 0.0061 0.0061
Brugia malayi hypothetical protein 0.0028 0.0061 0.0061
Echinococcus granulosus mothers against decapentaplegic 6 0.0029 0.0069 0.0102
Loa Loa (eye worm) hypothetical protein 0.0164 0.1507 0.1507
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0028 0.0061 0.009
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0028 0.0061 0.009
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0028 0.0061 0.009
Loa Loa (eye worm) transcription factor SMAD2 0.0959 1 1
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0028 0.0061 0.0061
Echinococcus granulosus geminin 0.0205 0.1942 0.2842
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0351 0.3508 1
Brugia malayi RNA binding protein 0.0317 0.3145 0.3145
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0028 0.0061 0.0061
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0028 0.0061 1
Schistosoma mansoni hypothetical protein 0.0205 0.1942 0.2842
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0061
Brugia malayi N-terminal motif family protein 0.0351 0.3508 0.3508
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0028 0.0061 0.0061
Echinococcus multilocularis expressed protein 0.0028 0.0061 0.009
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0028 0.0061 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0028 0.0061 0.009
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0028 0.0061 0.009
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0028 0.0061 0.009
Plasmodium vivax ataxin-2 like protein, putative 0.0105 0.0881 1
Echinococcus multilocularis smad 0.0065 0.0455 0.0666
Brugia malayi hypothetical protein 0.0105 0.0881 0.0881
Echinococcus granulosus TGF beta signal transducer SmadC 0.0065 0.0455 0.0666
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.0262 0.0383
Brugia malayi TAR-binding protein 0.0317 0.3145 0.3145
Brugia malayi MH2 domain containing protein 0.0029 0.0069 0.0069
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0028 0.0061 0.009
Brugia malayi RNA recognition motif domain containing protein 0.0317 0.3145 0.3145
Brugia malayi mothers against decapentaplegic homolog 3 0.0029 0.0069 0.0069
Schistosoma mansoni tar DNA-binding protein 0.0317 0.3145 0.4602
Schistosoma mansoni smad1 5 8 and 0.0065 0.0455 0.0666
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0028 0.0061 0.009
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0028 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.0518 0.5287 0.5287
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0028 0.0061 0.009
Echinococcus granulosus Smad4 0.0065 0.0455 0.0666
Echinococcus multilocularis geminin 0.0205 0.1942 0.2842
Trypanosoma brucei PAB1-binding protein , putative 0.0105 0.0881 1
Brugia malayi MH1 domain containing protein 0.0065 0.0455 0.0455
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0663 0.6833 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0317 0.3145 0.4602
Schistosoma mansoni tar DNA-binding protein 0.0317 0.3145 0.4602
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0028 0.0061 0.0061
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0164 0.1507 0.1507
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0028 0.0061 0.0061
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0164 0.1507 0.2206
Schistosoma mansoni GTP-binding protein alpha subunit 0.0028 0.0061 0.009
Schistosoma mansoni hypothetical protein 0.0164 0.1507 0.2206
Echinococcus multilocularis Smad4 0.0065 0.0455 0.0666
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0028 0.0061 0.0061
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0028 0.0061 0.009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0518 0.5287 0.5287
Echinococcus multilocularis mothers against decapentaplegic 6 0.0029 0.0069 0.0102
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0354 0.3537 0.3537
Loa Loa (eye worm) Smad1 0.0065 0.0455 0.0455
Loa Loa (eye worm) nuclear factor I 0.0036 0.0143 0.0143
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0881 1
Loa Loa (eye worm) hypothetical protein 0.0351 0.3508 0.3508
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0663 0.6833 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0959 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0881 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0028 0.0061 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0164 0.1507 0.2206
Schistosoma mansoni hypothetical protein 0.0047 0.0262 0.0383
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0028 0.0061 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0065 0.0455 0.0455
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0028 0.0061 0.009
Schistosoma mansoni hypothetical protein 0.0205 0.1942 0.2842
Echinococcus granulosus expressed protein 0.0028 0.0061 0.009
Brugia malayi follicle stimulating hormone receptor 0.028 0.2744 0.2744
Loa Loa (eye worm) hypothetical protein 0.0029 0.0069 0.0069
Schistosoma mansoni smad1 5 8 and 0.0065 0.0455 0.0666
Schistosoma mansoni smad 0.0029 0.0069 0.0102
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0061
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0881 1
Schistosoma mansoni hypothetical protein 0.0164 0.1507 0.2206
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0029 0.0069 0.0023
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0028 0.0061 0.0061
Schistosoma mansoni smad1 5 8 and 0.0065 0.0455 0.0666
Loa Loa (eye worm) MH2 domain-containing protein 0.0029 0.0069 0.0069
Schistosoma mansoni GTP-binding protein alpha subunit 0.0028 0.0061 0.009
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0028 0.0061 0.009
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0028 0.0061 0.009
Schistosoma mansoni smad 0.0065 0.0455 0.0666
Toxoplasma gondii LsmAD domain-containing protein 0.0105 0.0881 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0061
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0028 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.0061
Echinococcus multilocularis tar DNA binding protein 0.0317 0.3145 0.4602
Loa Loa (eye worm) hypothetical protein 0.0036 0.0143 0.0143
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0663 0.6833 1
Schistosoma mansoni hypothetical protein 0.0164 0.1507 0.2206
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0028 0.0061 0.009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0164 0.1507 0.2206
Echinococcus granulosus mothers against decapentaplegic 5 0.0065 0.0455 0.0666
Schistosoma mansoni Smad4 0.0029 0.0069 0.0102
Brugia malayi MH2 domain containing protein 0.0065 0.0455 0.0455
Echinococcus granulosus smad 0.0065 0.0455 0.0666
Schistosoma mansoni hypothetical protein 0.0164 0.1507 0.2206
Brugia malayi hypothetical protein 0.0068 0.0483 0.0483
Echinococcus multilocularis mothers against decapentaplegic 2 0.0029 0.0069 0.0102
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.0262 0.0383
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0663 0.6833 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0663 0.6833 0.6833
Loa Loa (eye worm) latrophilin receptor protein 2 0.0164 0.1507 0.1507

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 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: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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