Detailed information for compound 308054

Basic information

Technical information
  • TDR Targets ID: 308054
  • Name: bretazenil
  • MW: 418.284 | Formula: C19H20BrN3O3
  • H donors: 0 H acceptors: 3 LogP: 3.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ncn2c1[C@@H]1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C
  • InChi: 1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
  • InChiKey: LWUDDYHYYNNIQI-ZDUSSCGKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 84379-13-5
  • Ro-16-6028
  • Ro-16-6028/000
  • PDSP1_000566
  • Bretazenil [USAN:INN]
  • Bretazenilum [INN-Latin]
  • Bretazenil (USAN)
  • PDSP2_000564
  • D03155
  • 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (S)-
  • BRN 4765855
  • NCGC00160640-01
  • NCGC00160640-02
  • Ro 16-6028
  • tert-Butyl (S)-8-bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 3 References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, gamma 2 Starlite/ChEMBL References
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 1 References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 5 References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, beta 3 Starlite/ChEMBL References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 2 Starlite/ChEMBL References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 6 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131775 All targets in OG5_131775
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic 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
Theileria parva hypothetical protein 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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 knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
Schistosoma mansoni ap endonuclease 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor Get druggable targets OG5_129441 All targets in OG5_129441
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 yoelii putative AP endonuclease-related 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Toxoplasma gondii exonuclease III APE 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 brucei apurinic/apyrimidinic endonuclease, 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
Brugia malayi 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Treponema pallidum exodeoxyribonuclease (exoA) 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 excitatory GABA receptor EXP-1A gamma-aminobutyric acid (GABA) A receptor, beta 3 473 aa 441 aa 29.9 %
Brugia malayi excitatory GABA receptor EXP-1A gamma-aminobutyric acid (GABA) A receptor, alpha 3 492 aa 437 aa 28.8 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein gamma-aminobutyric acid (GABA) A receptor, alpha 2 451 aa 393 aa 25.9 %
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 %
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 %
Brugia malayi excitatory GABA receptor EXP-1A gamma-aminobutyric acid (GABA) A receptor, alpha 5 462 aa 447 aa 28.0 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis peptide deformylase 0.0233 0.3959 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0089 0.068 0.5
Brugia malayi hypothetical protein 0.0127 0.1554 0.2576
Onchocerca volvulus 0.0069 0.0226 0.0916
Echinococcus granulosus nAChR subunit 0.0069 0.0226 0.0916
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0128 0.1569 0.1569
Brugia malayi Cell death protein 3 precursor 0.0127 0.1554 0.2576
Onchocerca volvulus 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0167 0.2463 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Echinococcus granulosus inhibitor of apoptosis protein 0.0167 0.2463 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) GABA receptor subunit 0.0069 0.0226 0.0226
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0324 0.6033 1
Onchocerca volvulus 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Echinococcus multilocularis inhibitor of apoptosis protein 0.0167 0.2463 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0167 0.2463 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0128 0.1569 0.637
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0128 0.1569 0.2601
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1569 0.2601
Loa Loa (eye worm) LGC-31 protein 0.0128 0.1569 0.1569
Onchocerca volvulus 0.0128 0.1569 0.637
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0128 0.1569 0.2601
Onchocerca volvulus 0.0127 0.1554 0.6309
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1569 0.2601
Onchocerca volvulus 0.0128 0.1569 0.637
Trypanosoma cruzi Peptide deformylase 2, putative 0.0089 0.068 0.5
Echinococcus multilocularis caspase 2 0.0127 0.1554 0.6309
Echinococcus granulosus glycine receptor subunit alpha 1 0.0128 0.1569 0.637
Echinococcus granulosus glycine receptor subunit beta 0.0128 0.1569 0.637
Plasmodium falciparum peptide deformylase 0.0233 0.3959 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0128 0.1569 0.637
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0233 0.3959 0.5
Loa Loa (eye worm) hypothetical protein 0.0324 0.6033 0.6033
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0069 0.0226 0.0916
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Toxoplasma gondii hypothetical protein 0.0233 0.3959 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0128 0.1569 0.637
Echinococcus multilocularis apoptotic protease activating factor 1 0.0127 0.1554 0.6309
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0089 0.068 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.2463 0.2463
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Mycobacterium ulcerans peptide deformylase 0.0233 0.3959 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Brugia malayi excitatory GABA receptor EXP-1A 0.0128 0.1569 0.2601
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Brugia malayi Cation transporter family protein 0.0128 0.1569 0.2601
Onchocerca volvulus 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0265 0.4689 0.4689
Onchocerca volvulus Deterin homolog 0.0167 0.2463 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0128 0.1569 0.1569
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0128 0.1569 0.2601
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1569 0.2601
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Schistosoma mansoni inhibitor of apoptosis protein 0.0167 0.2463 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0128 0.1569 0.637
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0128 0.1569 0.637
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0089 0.068 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0233 0.3959 0.5
Trypanosoma brucei Peptide deformylase 2 0.0089 0.068 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0167 0.2463 0.4083
Onchocerca volvulus 0.0167 0.2463 1
Echinococcus multilocularis nAChR subunit 0.0128 0.1569 0.637
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0128 0.1569 0.2601
Loa Loa (eye worm) hypothetical protein 0.0127 0.1554 0.1554
Schistosoma mansoni hypothetical protein 0.0127 0.1554 0.6309
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0128 0.1569 0.637
Brugia malayi Cation transporter family protein 0.0128 0.1569 0.2601
Echinococcus granulosus caspase 2 0.0127 0.1554 0.6309
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0167 0.2463 0.4083
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0128 0.1569 0.1569
Brugia malayi Cation transporter family protein 0.0128 0.1569 0.2601
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0128 0.1569 0.637
Schistosoma mansoni neurotransmitter gated ion channel 0.0069 0.0226 0.0916
Onchocerca volvulus Cell death protein 3 homolog 0.0127 0.1554 0.6309
Plasmodium vivax peptide deformylase, putative 0.0233 0.3959 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0089 0.068 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0128 0.1569 0.637
Schistosoma mansoni caspase-7 (C14 family) 0.0127 0.1554 0.6309
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Echinococcus granulosus glycine receptor subunit beta 0.0128 0.1569 0.637
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0069 0.0226 0.0916
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0128 0.1569 0.637
Echinococcus multilocularis glycine receptor subunit beta 0.0128 0.1569 0.637
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0128 0.1569 0.637
Onchocerca volvulus Putative nachr subunit 0.0128 0.1569 0.637
Echinococcus multilocularis nAChR subunit 0.0069 0.0226 0.0916
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0128 0.1569 0.637
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0128 0.1569 0.2601
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1569 0.2601
Loa Loa (eye worm) hypothetical protein 0.0127 0.1554 0.1554
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0128 0.1569 0.2601
Loa Loa (eye worm) hypothetical protein 0.0167 0.2463 0.2463
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0128 0.1569 0.637
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0128 0.1569 0.637
Treponema pallidum polypeptide deformylase (def) 0.0233 0.3959 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0128 0.1569 0.2601
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0128 0.1569 0.637
Onchocerca volvulus 0.0128 0.1569 0.637
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0069 0.0226 0.0374
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0128 0.1569 0.637
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Echinococcus multilocularis glycine receptor subunit beta 0.0128 0.1569 0.637
Schistosoma mansoni hypothetical protein 0.0167 0.2463 1
Trypanosoma brucei Polypeptide deformylase 1 0.0089 0.068 0.5
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0128 0.1569 0.637
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0128 0.1569 0.637
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0128 0.1569 0.2601
Loa Loa (eye worm) ACC-1 protein 0.0128 0.1569 0.1569
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0069 0.0226 0.0374
Echinococcus granulosus apoptotic protease activating factor 1 0.0127 0.1554 0.6309
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0128 0.1569 0.2601
Entamoeba histolytica hypothetical protein 0.0069 0.0226 0.5
Echinococcus granulosus nAChR subunit 0.0128 0.1569 0.637
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0128 0.1569 0.1569
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0128 0.1569 0.637
Onchocerca volvulus 0.0069 0.0226 0.0916
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1569 0.2601
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0069 0.0226 0.0374
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0128 0.1569 0.637
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0128 0.1569 0.2601
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0233 0.3959 0.5
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0167 0.2463 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0128 0.1569 0.637
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0128 0.1569 0.637
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0069 0.0226 0.0374
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Echinococcus granulosus glycine receptor subunit alpha 1 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0069 0.0226 0.0226
Loa Loa (eye worm) ACC-1 protein 0.0128 0.1569 0.1569
Schistosoma mansoni nAChR subunit 0.0128 0.1569 0.637
Loa Loa (eye worm) hypothetical protein 0.0128 0.1569 0.1569
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0128 0.1569 0.637
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0128 0.1569 0.637

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.2 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.2 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.35 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.35 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.5 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.5 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.64 nM Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.64 nM Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 12.7 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha6-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 12.7 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha6-beta3-gamma2 ChEMBL. 10633039
Potency (functional) 0.1585 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.012 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.847 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.