Detailed information for compound 70196

Basic information

Technical information
  • TDR Targets ID: 70196
  • Name: [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-im idazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
  • MW: 383.403 | Formula: C22H17N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1Cc2c(ncn2c2c1cccc2)c1noc(n1)C1CC1)c1ccccc1
  • InChi: 1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2
  • InChiKey: WMBPDZBHEAETLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenyl-methanone
  • [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[5,1-c]quinoxalin-5-yl]-phenylmethanone
  • [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[5,1-c]quinoxalin-5-yl]-phenyl-methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, gamma 2 References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, beta 2 References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 1 Starlite/ChEMBL References
Rattus norvegicus GABA-A receptor; anion channel Starlite/ChEMBL References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor Get druggable targets OG5_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131775 All targets in OG5_131775
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 446 aa 28.0 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 435 aa 29.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein gamma-aminobutyric acid (GABA) A receptor, alpha 6 453 aa 474 aa 28.5 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 446 aa 29.1 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein gamma-aminobutyric acid (GABA) A receptor, gamma 2 467 aa 449 aa 27.6 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit GABA-A receptor; anion channel   467 aa 379 aa 19.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 468 aa 28.6 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; anion channel   467 aa 496 aa 26.0 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 461 aa 27.8 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative GABA-A receptor; anion channel   467 aa 384 aa 19.5 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 447 aa 25.7 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 454 aa 30.4 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein gamma-aminobutyric acid (GABA) A receptor, alpha 1 456 aa 451 aa 30.2 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0853 0.3643
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0083 0.0326 0.0326
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0083 0.0326 0.0326
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0083 0.0326 0.0326
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0853 0.1088
Loa Loa (eye worm) hypothetical protein 0.0279 0.2002 0.2002
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0083 0.0326 0.0326
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0083 0.0326 0.0326
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.1131 0.1131
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0083 0.0326 0.0326
Trichomonas vaginalis alpha-glucosidase, putative 0.0125 0.0685 0.2013
Schistosoma mansoni alpha-glucosidase 0.1163 0.9554 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0799 0.6443 0.6443
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0035 0.0035
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.1661 0.1661
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1215 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0177 0.1131 0.386
Echinococcus multilocularis neutral alpha glucosidase AB 0.0177 0.1131 0.1131
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0083 0.0326 0.0342
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Schistosoma mansoni hypothetical protein 0.0096 0.0436 0.0457
Trichomonas vaginalis sucrase-isomaltase, putative 0.0177 0.1131 0.386
Echinococcus granulosus neutral alpha glucosidase AB 0.0177 0.1131 0.1131
Echinococcus granulosus glycine receptor subunit alpha 1 0.0083 0.0326 0.0326
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0617 0.4891 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0177 0.1131 0.386
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0083 0.0326 0.0326
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0083 0.0326 0.0326
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0083 0.0326 0.0326
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0083 0.0326 0.0326
Brugia malayi Cation transporter family protein 0.0083 0.0326 0.0326
Schistosoma mansoni survival motor neuron protein 0.0049 0.0035 0.0037
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0083 0.0326 0.0326
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0083 0.0326 0.0326
Echinococcus granulosus lysosomal alpha glucosidase 0.1215 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.1661 0.1661
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0617 0.4891 0.7154
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0132 0.0751 0.2283
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0083 0.0326 0.0326
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0132 0.0751 0.0751
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0083 0.0326 0.0342
Echinococcus multilocularis glycine receptor subunit beta 0.0083 0.0326 0.0326
Echinococcus granulosus glycine receptor subunit beta 0.0083 0.0326 0.0326
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0132 0.0751 0.2283
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0125 0.0685 0.2013
Trichomonas vaginalis alpha-glucosidase, putative 0.0125 0.0685 0.2013
Echinococcus granulosus glycine receptor subunit alpha 1 0.0083 0.0326 0.0326
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0177 0.1131 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1215 1 1
Schistosoma mansoni alpha glucosidase 0.0177 0.1131 0.1184
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0125 0.0685 0.2867
Echinococcus granulosus glycogen debranching enzyme 0.0132 0.0751 0.0751
Onchocerca volvulus Putative nachr subunit 0.0083 0.0326 0.0461
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Schistosoma mansoni hypothetical protein 0.017 0.1074 0.1124
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0083 0.0326 0.0326
Brugia malayi Alpha-L-fucosidase family protein 0.0799 0.6443 0.6443
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0083 0.0326 0.0326
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0083 0.0326 0.0342
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Echinococcus granulosus glycine receptor subunit alpha 1 0.0083 0.0326 0.0326
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0177 0.1131 0.386
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0083 0.0326 0.0326
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.2227 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0083 0.0326 0.0326
Trichomonas vaginalis alpha-glucosidase, putative 0.0177 0.1131 0.386
Onchocerca volvulus 0.0083 0.0326 0.0461
Echinococcus multilocularis glycogen debranching enzyme 0.0132 0.0751 0.0751
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0064 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0125 0.0685 0.6059
Echinococcus multilocularis glycine receptor subunit beta 0.0083 0.0326 0.0326
Onchocerca volvulus 0.0083 0.0326 0.0461
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0177 0.1131 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0083 0.0326 0.0326
Trichomonas vaginalis alpha-glucosidase, putative 0.0125 0.0685 0.2013
Onchocerca volvulus 0.0083 0.0326 0.0461
Trichomonas vaginalis alpha-glucosidase, putative 0.0177 0.1131 0.386
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Loa Loa (eye worm) ACC-1 protein 0.0083 0.0326 0.0326
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0083 0.0326 0.0326
Trichomonas vaginalis alpha-glucosidase, putative 0.0177 0.1131 0.386
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Brugia malayi Glycosyl hydrolases family 31 protein 0.0125 0.0685 0.0685
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0279 0.2002 0.2002
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0083 0.0326 0.0342
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) alpha-L-fucosidase 0.0799 0.6443 0.6443
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0125 0.0685 0.0968
Loa Loa (eye worm) hypothetical protein 0.0239 0.1661 0.1661
Mycobacterium ulcerans alpha-L-fucosidase 0.0799 0.6443 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Brugia malayi Cation transporter family protein 0.0083 0.0326 0.0326
Echinococcus granulosus nAChR subunit 0.0083 0.0326 0.0326
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0125 0.0685 0.2867
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0083 0.0326 0.0326
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.2227 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Entamoeba histolytica glycogen debranching enzyme, putative 0.0132 0.0751 0.6636
Onchocerca volvulus 0.0083 0.0326 0.0461
Loa Loa (eye worm) hypothetical protein 0.0241 0.1676 0.1676
Trichomonas vaginalis alpha-L-fucosidase, putative 0.035 0.2612 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0083 0.0326 0.0326
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0083 0.0326 0.0342
Echinococcus multilocularis lysosomal alpha glucosidase 0.1215 1 1
Schistosoma mansoni alpha-l-fucosidase 0.0799 0.6443 0.6743
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.1131 0.1131
Brugia malayi Cation transporter family protein 0.0083 0.0326 0.0326
Echinococcus granulosus glycine receptor subunit beta 0.0083 0.0326 0.0326
Trichomonas vaginalis alpha-L-fucosidase, putative 0.035 0.2612 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0083 0.0326 0.0326
Trichomonas vaginalis maltase-glucoamylase, putative 0.0177 0.1131 0.386
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0453 0.3491 0.3491
Onchocerca volvulus 0.0083 0.0326 0.0461
Leishmania major alpha glucosidase II subunit, putative 0.0177 0.1131 0.2892
Brugia malayi excitatory GABA receptor EXP-1A 0.0083 0.0326 0.0326
Loa Loa (eye worm) LGC-31 protein 0.0083 0.0326 0.0326
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0083 0.0326 0.0326
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0177 0.1131 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0177 0.1131 0.386
Trichomonas vaginalis alpha-glucosidase, putative 0.0125 0.0685 0.2013
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.0853 0.1088
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0083 0.0326 0.0326
Trypanosoma cruzi hypothetical protein, conserved 0.0177 0.1131 0.493
Trypanosoma brucei glucosidase, putative 0.0177 0.1131 0.2892
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0799 0.6443 0.6443
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Onchocerca volvulus 0.0083 0.0326 0.0461
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.2227 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0083 0.0326 0.0326
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0132 0.0751 0.6514
Trichomonas vaginalis alpha-glucosidase, putative 0.0125 0.0685 0.2013
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0083 0.0326 0.0326
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0083 0.0326 0.0326
Echinococcus multilocularis nAChR subunit 0.0083 0.0326 0.0326
Onchocerca volvulus 0.0049 0.0035 0.005
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0132 0.0751 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0125 0.0685 0.2013
Brugia malayi hypothetical protein 0.0239 0.1661 0.1661
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0083 0.0326 0.0342
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0125 0.0685 0.2013
Loa Loa (eye worm) hypothetical protein 0.0125 0.0685 0.0685
Schistosoma mansoni hypothetical protein 0.0049 0.0035 0.0037
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0083 0.0326 0.0326
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0083 0.0326 0.0326
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0083 0.0326 0.0326
Schistosoma mansoni nAChR subunit 0.0083 0.0326 0.0342
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0132 0.0751 0.0751
Onchocerca volvulus 0.0873 0.7082 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0326 0.0326
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0083 0.0326 0.0326
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.2227 1
Schistosoma mansoni alpha-glucosidase 0.1163 0.9554 1
Trypanosoma cruzi hypothetical protein, conserved 0.0177 0.1131 0.493
Loa Loa (eye worm) ACC-1 protein 0.0083 0.0326 0.0326

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 42 mg kg-1 Antagonistic activity of the compound was tested against metrazole-induced clonic convulsions in rat after ip injection ChEMBL. 8568803
Ki (binding) = 0.3 nM Displacement of [3H]-Flunitrazepam from GABA-A receptor alpha1-beta2-gamma2 subtunits expressed in Sf9 cells ChEMBL. 8568803
Ki (binding) = 0.3 nM Displacement of [3H]-flunitrazepam from alpha1-beta2-gamma2 GABA-A receptor subunits expressed in Sf9 cell membranes ChEMBL. 8145225
Ki (binding) = 0.3 nM Displacement of [3H]-Flunitrazepam from GABA-A receptor alpha1-beta2-gamma2 subtunits expressed in Sf9 cells ChEMBL. 8568803
Ki (binding) = 4.3 nM Inhibition of [3H]-flunitrazepam binding to GABA-A receptor of rat cortical membranes ChEMBL. 8568803
Ki (binding) = 4.3 nM Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor ChEMBL. 8145225
Ki (binding) = 4.3 nM Inhibition of [3H]-flunitrazepam binding to GABA-A receptor of rat cortical membranes ChEMBL. 8568803
Ki (binding) = 4.3 nM Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor ChEMBL. 8145225
Ki (binding) = 1140 nM Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha6-beta2-gamma2 subunits expressed in Sf9 cells ChEMBL. 8568803
Ki (binding) = 1140 nM Displacement of [3H]-Ro- 15-4513 from alpha1-beta2-gamma2 GABA-A receptor subunits expressed in Sf9 cell membranes ChEMBL. 8145225
Ki (binding) = 1140 nM Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha6-beta2-gamma2 subunits expressed in Sf9 cells ChEMBL. 8568803
TBPS shift (binding) = 0.5 Shift in the affinity of [35S]-TBPS for the chloride channel of GABAA receptor complex in the presence and absence of compound ChEMBL. 8145225
TBPS shift (binding) = 0.5 Shift in the affinity of [35S]-TBPS for the chloride channel of GABAA receptor complex in the presence and absence of compound ChEMBL. 8145225
[35S] TBPS shift (binding) = 0.54 In vitro inhibition of [35S]-TBPS binding in rat brain membranes, activity expressed as [35S]-TBPS shift value ChEMBL. 8568803
[35S] TBPS shift (binding) = 0.54 In vitro inhibition of [35S]-TBPS binding in rat brain membranes, activity expressed as [35S]-TBPS shift value ChEMBL. 8568803

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

2 literature references were collected for this gene.

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