Detailed information for compound 1303989

Basic information

Technical information
  • TDR Targets ID: 1303989
  • Name: 2-(2,5-dimethyl-1H-indol-3-yl)acetic acid
  • MW: 203.237 | Formula: C12H13NO2
  • H donors: 2 H acceptors: 2 LogP: 2.28 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1c(CC(=O)O)c2c([nH]1)ccc(c2)C
  • InChi: 1S/C12H13NO2/c1-7-3-4-11-10(5-7)9(6-12(14)15)8(2)13-11/h3-5,13H,6H2,1-2H3,(H,14,15)
  • InChiKey: TYNHPLJFWKDNTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,5-dimethyl-1H-indol-3-yl)ethanoic acid
  • 5435-40-5
  • (2,5-Dimethyl-1H-indol-3-yl)-acetic acid
  • NSC21431
  • BAS 09615558
  • Oprea1_605120
  • A3643/0154614
  • MLS000067289
  • SMR000124813

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 glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Latrophilin receptor protein 2 0.0099 0.2903 0.279
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0812 0.0893
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.2225 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0812 0.0893
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6139 0.852
Loa Loa (eye worm) hypothetical protein 0.0313 1 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0395 0.2597
Loa Loa (eye worm) RNA binding protein 0.0187 0.5822 0.5822
Brugia malayi Stress-activated protein kinase jnk-1 0.0228 0.7172 0.7127
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6139 0.6139
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.086 0.6575
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1065 0.1016
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1065 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0311 0.188
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.086 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.2903 0.3886
Brugia malayi latrophilin 2 splice variant baaae 0.0214 0.6715 0.6663
Echinococcus multilocularis GPCR, family 2 0.0099 0.2903 0.3886
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.1262 0.5341
Schistosoma mansoni hypothetical protein 0.0099 0.2903 0.3886
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1065 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.005 0.1262 0.1536
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.1262 0.5594
Brugia malayi RNA recognition motif domain containing protein 0.0187 0.5822 0.5755
Mycobacterium ulcerans polyketide synthase 0.0027 0.0501 0.481
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0048 0.1194 0.1054
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0768 0.083
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6139 0.6077
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.005 0.1262 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0424 0.2846
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0395 0.0242
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0228 0.7172 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.7999 0.7999
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0449 0.4065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1448 0.1804
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1448 0.1312
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0449 0.3064
Schistosoma mansoni alpha-glucosidase 0.0169 0.5231 0.722
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6139 0.852
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0501 0.481
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0084
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0501 0.481
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.086 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0313 1 1
Brugia malayi MH1 domain containing protein 0.0017 0.0189 0.0033
Leishmania major hypothetical protein, conserved 0.0079 0.2225 1
Brugia malayi MH2 domain containing protein 0.0253 0.7999 0.7967
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1065 0.1016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1448 0.1804
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.1262 0.5594
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0298 0.177
Loa Loa (eye worm) hypothetical protein 0.0099 0.2903 0.2903
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0787 0.0857
Brugia malayi MH1 domain containing protein 0.0017 0.0189 0.0033
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0501 0.2116
Brugia malayi MH2 domain containing protein 0.0017 0.0189 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0228 0.7172 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1065 0.0923
Schistosoma mansoni tar DNA-binding protein 0.0187 0.5822 0.8066
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0311 0.2064
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0787 0.0857
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1448 0.1804
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.1065 0.1016
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.2903 0.3886
Onchocerca volvulus 0.0286 0.9099 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.2225 1
Echinococcus multilocularis tar DNA binding protein 0.0187 0.5822 0.8066
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0449 0.4065
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0449 0.4065
Onchocerca volvulus 0.0023 0.0395 0.0266
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0812 0.0893
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.2903 0.2903
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.005 0.1262 0.5341
Trypanosoma brucei glucosidase, putative 0.0044 0.1065 0.4389
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.2903 0.3886
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.1065 0.1016
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0189 0.0189
Mycobacterium ulcerans thioesterase 0.0021 0.0311 0.2064
Schistosoma mansoni hypothetical protein 0.0214 0.6715 0.9345
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.2903 0.3886
Schistosoma mansoni alpha-glucosidase 0.0169 0.5231 0.722
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9099 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1448 0.1804
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0187 0.5822 0.5822
Brugia malayi Smad1 0.0017 0.0189 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0187 0.5822 0.8066
Mycobacterium ulcerans polyketide synthase 0.0025 0.0449 0.4065
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0812 0.0893
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0215 0.1064
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.1262 0.1536
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.1065 0.4389
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.2225 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1065 0.4389
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0311 0.2064
Brugia malayi Pre-SET motif family protein 0.0251 0.7948 0.7915
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0287 0.172
Loa Loa (eye worm) hypothetical protein 0.0214 0.6715 0.6715
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0189 0.0189
Schistosoma mansoni hypothetical protein 0.0099 0.2903 0.3886
Brugia malayi hypothetical protein 0.0079 0.2225 0.2102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1448 0.1804
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1065 0.1016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1448 0.1804
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0501 0.3505
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0424 0.2846
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0449 0.4065
Brugia malayi hypothetical protein 0.0051 0.1301 0.1163
Echinococcus granulosus GPCR family 2 0.0099 0.2903 0.3886
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0438 0.0438
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0812 0.0893
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0449 0.4065
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7948 0.7948
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0501 0.481
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1065 0.1016
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6139 0.852
Schistosoma mansoni alpha glucosidase 0.0044 0.1065 0.1254
Schistosoma mansoni tar DNA-binding protein 0.0187 0.5822 0.8066
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0501 0.481
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0501 0.3505
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.2225 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.021 0.0785
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.1117 0.1074
Loa Loa (eye worm) hypothetical protein 0.0036 0.0812 0.0812
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.2225 1
Schistosoma mansoni hypothetical protein 0.0099 0.2903 0.3886
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.1262 0.5341
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.2225 1
Echinococcus multilocularis isocitrate dehydrogenase 0.005 0.1262 0.1536
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1065 0.1016
Brugia malayi Isocitrate dehydrogenase 0.005 0.1262 0.1123
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.086 0.6575
Loa Loa (eye worm) hypothetical protein 0.0079 0.2225 0.2225
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0812 0.0893
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.1262 0.1536
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1065 0.1016
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.1065 0.4694
Trypanosoma brucei PAB1-binding protein , putative 0.0079 0.2225 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.005 0.1262 0.1536
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1448 0.1448
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0228 0.7172 0.7172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1448 0.1804
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0395 0.0395
Schistosoma mansoni hypothetical protein 0.0099 0.2903 0.3886
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0812 0.3541
Brugia malayi RNA binding protein 0.0187 0.5822 0.5755
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0287 0.172
Onchocerca volvulus 0.0044 0.1065 0.1016
Echinococcus granulosus tar DNA binding protein 0.0187 0.5822 0.8066
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0449 0.3064
Onchocerca volvulus 0.0036 0.0812 0.0733
Onchocerca volvulus 0.0114 0.3389 0.3615
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.005 0.1262 0.1536
Loa Loa (eye worm) TAR-binding protein 0.0187 0.5822 0.5822
Echinococcus granulosus c-Jun N-terminal kinases 0.0228 0.7172 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0313 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1065 0.1065
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1065 0.1254
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0449 0.0297
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.1262 0.5341
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1065 0.1254
Loa Loa (eye worm) hypothetical protein 0.0042 0.1015 0.1015
Schistosoma mansoni hypothetical protein 0.0035 0.0787 0.0857
Schistosoma mansoni tar DNA-binding protein 0.0187 0.5822 0.8066
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.005 0.1262 0.3178
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.2903 0.279
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0812 0.0893
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1065 0.4389
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1065 0.1016
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0287 0.172
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0449 0.3064
Loa Loa (eye worm) Smad1 0.0017 0.0189 0.0189
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0449 0.4065
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0157 0.0545
Brugia malayi MH2 domain containing protein 0.0017 0.0189 0.0033
Trypanosoma brucei isocitrate dehydrogenase, putative 0.005 0.1262 0.5341
Schistosoma mansoni tar DNA-binding protein 0.0187 0.5822 0.8066
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0501 0.3505
Brugia malayi Pre-SET motif family protein 0.0036 0.0812 0.0666
Loa Loa (eye worm) isocitrate dehydrogenase 0.005 0.1262 0.1262
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0501 0.481
Brugia malayi TAR-binding protein 0.0187 0.5822 0.5755
Brugia malayi isocitrate dehydrogenase 0.005 0.1262 0.1123
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.7999 0.7999
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.1262 0.1536
Loa Loa (eye worm) hypothetical protein 0.0016 0.0157 0.0157

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.7969 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 5.0119 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) 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) 19.9526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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 Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 35.4813 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
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.5625 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] 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

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.
 
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

No literature references available for this target.

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