Detailed information for compound 896976

Basic information

Technical information
  • TDR Targets ID: 896976
  • Name: ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinol in-2-yl)-3,3,3-trifluoropropanoate
  • MW: 344.329 | Formula: C16H19F3N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(C(F)(F)F)(N1CCc2c(C1)cccc2)NC(=O)C
  • InChi: 1S/C16H19F3N2O3/c1-3-24-14(23)15(16(17,18)19,20-11(2)22)21-9-8-12-6-4-5-7-13(12)10-21/h4-7H,3,8-10H2,1-2H3,(H,20,22)
  • InChiKey: XRUWKERGOBKZNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-propanoate
  • 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoic acid ethyl ester
  • 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-propionic acid ethyl ester
  • MLS000079279
  • SMR000039668
  • STOCK1S-63758

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.1087 1
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1087 0.1087
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0035 0.0195 0.0195
Mycobacterium leprae Probable lipase LipE 0.0112 0.1087 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0137 0.0137
Brugia malayi RNA binding protein 0.0065 0.0538 0.0538
Toxoplasma gondii ABC1 family protein 0.0112 0.1087 0.1087
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0078 0.0078
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0371 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0104 0.0104
Mycobacterium tuberculosis Probable lipase LipD 0.0112 0.1087 0.134
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0652 0.0652
Schistosoma mansoni ran 0.0023 0.0051 0.0053
Leishmania major macrophage migration inhibitory factor-like protein 0.088 1 1
Echinococcus multilocularis snurportin 1 0.0334 0.3662 0.382
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0112 0.1087 0.134
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0051 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0328 0.0347
Plasmodium falciparum macrophage migration inhibitory factor 0.088 1 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.088 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0371 0.0371
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0078 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.088 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0137 0.1256
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0652 0.0652
Echinococcus granulosus microtubule associated protein 2 0.0833 0.946 1
Echinococcus multilocularis geminin 0.035 0.385 0.4016
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0008 0.0008
Echinococcus multilocularis beta LACTamase domain containing family member 0.0112 0.1087 0.1134
Mycobacterium tuberculosis Probable esterase LipL 0.0112 0.1087 0.134
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0371 0.0371
Loa Loa (eye worm) hypothetical protein 0.0029 0.0115 0.0115
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.1087 0.1087
Loa Loa (eye worm) hypothetical protein 0.0056 0.0436 0.0436
Brugia malayi Pax transcription factor protein 2 0.0251 0.2693 0.2693
Leishmania major GTP-binding protein, putative 0.0023 0.0051 0.0051
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0371 0.341
Loa Loa (eye worm) hypothetical protein 0.0028 0.0104 0.0104
Leishmania major importin beta-1 subunit, putative 0.0025 0.0078 0.0078
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0056 0.0436 0.0436
Schistosoma mansoni importin beta-1 0.0031 0.0146 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0104 0.0104
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0078 0.0078
Mycobacterium ulcerans hypothetical protein 0.0112 0.1087 1
Echinococcus granulosus geminin 0.035 0.385 0.4069
Loa Loa (eye worm) macrophage migration inhibitory factor 0.088 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0328 0.0342
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0211
Schistosoma mansoni cation chloride cotransporter 0.0028 0.0104 0.011
Loa Loa (eye worm) hypothetical protein 0.0056 0.0436 0.0436
Loa Loa (eye worm) hypothetical protein 0.0112 0.1087 0.1087
Echinococcus granulosus importin subunit beta 1 0.0031 0.0146 0.0155
Mycobacterium tuberculosis Conserved protein 0.0112 0.1087 0.134
Trichomonas vaginalis cation chloride cotransporter, putative 0.0028 0.0104 0.0104
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1087 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.946 0.9869
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0371 0.0387
Trypanosoma brucei protein kinase, putative 0.0051 0.0371 0.341
Entamoeba histolytica Ran family GTPase 0.0023 0.0051 0.0051
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0483 0.0511
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0211
Mycobacterium tuberculosis Conserved protein 0.0112 0.1087 0.134
Loa Loa (eye worm) hypothetical protein 0.0048 0.034 0.034
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.946 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0538 0.0568
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0051 0.0465
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0483 0.4446
Loa Loa (eye worm) hypothetical protein 0.0029 0.0115 0.0115
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0371 0.0387
Brugia malayi beta-lactamase family protein 0.0112 0.1087 0.1087
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0375 0.4142 0.4142
Brugia malayi TAR-binding protein 0.0065 0.0538 0.0538
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0483 0.0596
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0386 0.0386
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.088 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0375 0.4142 0.4142
Schistosoma mansoni hypothetical protein 0.035 0.385 0.4069
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0328 0.0347
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0371 0.341
Leishmania major hypothetical protein, conserved 0.0112 0.1087 0.1087
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0483 0.0504
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0146 0.0153
Onchocerca volvulus 0.0251 0.2693 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.1087 0.1087
Mycobacterium ulcerans lipase LipD 0.0112 0.1087 1
Brugia malayi GH09271p 0.0019 0.0008 0.0008
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0146 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0104 0.0104
Brugia malayi solute carrier family 12 member 1 0.0075 0.0652 0.0652
Loa Loa (eye worm) hypothetical protein 0.0112 0.1087 0.1087
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0371 0.0371
Plasmodium vivax importin-beta 2, putative 0.0031 0.0146 0.0146
Leishmania major hypothetical protein, conserved 0.003 0.0137 0.0137
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0538 0.0568
Loa Loa (eye worm) hypothetical protein 0.0112 0.1087 0.1087
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1087 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0371 0.0371
Brugia malayi RNA, U transporter 1 0.0089 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.0048 0.034 0.034
Schistosoma mansoni solute carrier family 12 electroneutral k-cl cotransporter 0.0056 0.0436 0.0461
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0051 0.0465
Echinococcus granulosus tar DNA binding protein 0.0065 0.0538 0.0568
Brugia malayi hypothetical protein 0.002 0.0011 0.0011
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0371 0.0392
Loa Loa (eye worm) RNA binding protein 0.0065 0.0538 0.0538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0328 0.0347
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0051 0.0051
Echinococcus granulosus solute carrier family 12 0.0056 0.0436 0.0461
Schistosoma mansoni hypothetical protein 0.035 0.385 0.4069
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1087 0.1087
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0211
Trichomonas vaginalis esterase, putative 0.0112 0.1087 0.1087
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0211
Brugia malayi MH2 domain containing protein 0.0118 0.1153 0.1153
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0146 0.1347
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0195 0.0195
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0538 0.0561
Brugia malayi beta-lactamase family protein 0.0112 0.1087 0.1087
Loa Loa (eye worm) hypothetical protein 0.0048 0.034 0.034
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0137 0.0137
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0051 0.0053
Plasmodium vivax macrophage migration inhibitory factor, putative 0.088 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0112 0.1087 1
Plasmodium vivax hypothetical protein, conserved 0.0112 0.1087 0.1087
Brugia malayi MAP kinase sur-1 0.0051 0.0371 0.0371
Schistosoma mansoni hypothetical protein 0.0334 0.3662 0.3871
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0483 0.4446
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0483 0.4446
Echinococcus multilocularis solute carrier family 12 0.0056 0.0436 0.0455
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0371 0.341
Schistosoma mansoni hypothetical protein 0.0035 0.0195 0.0206
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0483 0.0483
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0112 0.1087 0.1087
Plasmodium falciparum importin beta, putative 0.0031 0.0146 0.0146
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0844 0.9586 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0328 0.0342
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0371 0.0392
Loa Loa (eye worm) hypothetical protein 0.0029 0.0115 0.0115
Brugia malayi Importin beta-1 subunit 0.0031 0.0146 0.0146
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0137 0.0137
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0483 0.0511
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0328 0.0328
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0112 0.1087 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0008 0.0008
Trichomonas vaginalis ran, putative 0.0023 0.0051 0.0051
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0334 0.3662 0.3662
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0538 0.0568
Brugia malayi hypothetical protein 0.003 0.0137 0.0137
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.1087 0.1087
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1087 0.1149
Brugia malayi Amino acid permease family protein 0.0028 0.0104 0.0104
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0112 0.1087 0.134
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0538 0.0538
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0538 0.0568
Echinococcus granulosus snurportin 1 0.0334 0.3662 0.3871
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0008
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0112 0.1087 0.134
Schistosoma mansoni ran 0.0023 0.0051 0.0053
Mycobacterium tuberculosis Probable lipase LipE 0.0112 0.1087 0.134
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0371 0.0371
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0078 0.0715
Mycobacterium leprae conserved hypothetical protein 0.0112 0.1087 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0112 0.1087 0.1087
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0371 0.341
Onchocerca volvulus 0.0112 0.1087 0.3202
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0328 0.0328
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0137 0.1256
Brugia malayi Hypothetical 112.3 kDa protein K02A2.3 in chromosome II 0.0056 0.0436 0.0436
Mycobacterium tuberculosis Conserved protein 0.0112 0.1087 0.134
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0371 0.0371
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0386 0.0386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0328 0.0347
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0328 0.0347
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1153 0.1153
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0652 0.0652
Echinococcus granulosus beta LACTamase domain containing family member 0.0112 0.1087 0.1149
Echinococcus granulosus cation chloride cotransporter 0.0028 0.0104 0.011
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0717 0.8115 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0483 0.0511
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0386 0.0386
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0538 0.0568
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0029 0.0115 0.0115
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0137 0.1256
Giardia lamblia Macrophage migration inhibitory factor 0.088 1 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0251 0.2693 0.2693
Onchocerca volvulus 0.0112 0.1087 0.3202
Entamoeba histolytica hypothetical protein 0.0025 0.0078 0.0078
Brugia malayi Amino acid permease family protein 0.0056 0.0436 0.0436
Trichomonas vaginalis cation chloride cotransporter, putative 0.0028 0.0104 0.0104
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1087 0.1149
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0104 0.0104
Loa Loa (eye worm) solute carrier family 12 member 1 0.0055 0.0427 0.0427
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1153 0.1153
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0008
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0371 0.0392
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0104 0.0104
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.088 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0371 0.0371
Leishmania major macrophage migration inhibitory factor-like protein 0.088 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0146 0.1347
Brugia malayi hypothetical protein 0.0019 0.0008 0.0008
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0051 0.0465
Loa Loa (eye worm) hypothetical protein 0.003 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0112 0.1087 0.1087
Onchocerca volvulus 0.0112 0.1087 0.3202
Loa Loa (eye worm) hypothetical protein 0.0112 0.1087 0.1087
Loa Loa (eye worm) beta-lactamase 0.0112 0.1087 0.1087
Brugia malayi beta-lactamase 0.0112 0.1087 0.1087
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0371 0.0371
Mycobacterium tuberculosis Probable hydrolase 0.0112 0.1087 0.134
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1087 0.1087
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0051 0.0051
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0371 0.341
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0137 0.0137
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0052 0.0386 0.0386
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0008 0.0008
Echinococcus multilocularis cation chloride cotransporter 0.0028 0.0104 0.0109
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0051 0.0053
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0051 0.0051
Loa Loa (eye worm) amino acid permease 0.0037 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0031 0.0146 0.0146
Mycobacterium ulcerans beta-lactamase 0.0112 0.1087 1
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0556 0.0556

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.08684 uM PubChem BioAssay. Fluorescence-based cell-based high throughput dose response assay to identify agonists of the human trace amine associated receptor 1 (TAAR1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 2.796 uM PubChem BioAssay. Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 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 (binding) = 25.1189 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 Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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

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.
 
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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