Detailed information for compound 14601

Basic information

Technical information
  • TDR Targets ID: 14601
  • Name: tert-butyl 6-methyl-5-[(3S,5R)-3,4,5-trimethy lpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quin oxaline-3-carboxylate
  • MW: 439.551 | Formula: C24H33N5O3
  • H donors: 0 H acceptors: 3 LogP: 2.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1[C@H](C)CN(C[C@@H]1C)C(=O)N1Cc2c(ncn2c2c1c(C)ccc2)C(=O)OC(C)(C)C
  • InChi: 1S/C24H33N5O3/c1-15-9-8-10-18-21(15)28(23(31)27-11-16(2)26(7)17(3)12-27)13-19-20(25-14-29(18)19)22(30)32-24(4,5)6/h8-10,14,16-17H,11-13H2,1-7H3/t16-,17+
  • InChiKey: YNDVRGZDFJXNTK-CALCHBBNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-methyl-5-[oxo-[(3S,5R)-3,4,5-trimethyl-1-piperazinyl]methyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylic acid tert-butyl ester
  • tert-butyl 6-methyl-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]carbonyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
  • 6-methyl-5-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylic acid tert-butyl ester
  • tert-butyl 6-methyl-5-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-4H-imidazo[5,1-c]quinoxaline-3-carboxylate
  • 6-methyl-5-[oxo-[(3S,5R)-3,4,5-trimethyl-1-piperazinyl]methyl]-4H-imidazo[5,1-c]quinoxaline-3-carboxylic acid tert-butyl ester
  • 6-methyl-5-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-4H-imidazo[5,1-c]quinoxaline-3-carboxylic acid tert-butyl ester
  • tert-butyl 6-methyl-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]carbonyl-4H-imidazo[5,1-c]quinoxaline-3-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA-A receptor; anion channel Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 447 aa 25.7 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %
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 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Echinococcus multilocularis 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 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
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 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; anion channel   467 aa 496 aa 26.0 %
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 454 aa 30.4 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
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 446 aa 29.1 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.1393 0.3635
Loa Loa (eye worm) hypothetical protein 0.0441 0.6674 0.6674
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0282 0.3995 0.5985
Echinococcus granulosus Protein patched homolog 1 0.0111 0.1132 0.1696
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.013 0.1442 0.2161
Entamoeba histolytica hypothetical protein 0.0152 0.1809 0.9677
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.1393 0.3635
Brugia malayi excitatory GABA receptor EXP-1A 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) LGC-31 protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0441 0.6674 0.6674
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0282 0.3995 0.5985
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0315 0.4561 0.6834
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Brugia malayi CHE-14 protein 0.0111 0.1132 0.1132
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0077 0.0545 0.5
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0282 0.3995 0.3995
Onchocerca volvulus 0.0282 0.3995 0.9211
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0152 0.1809 0.2711
Chlamydia trachomatis outer membrane protein PmpF 0.0075 0.0519 0.5
Schistosoma mansoni acetylcholine receptor-related 0.013 0.1442 0.2161
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0282 0.3995 0.5985
Schistosoma mansoni neurotransmitter gated ion channel 0.0152 0.1809 0.2711
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0282 0.3995 0.3995
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0154 0.1851 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0282 0.3995 0.3995
Schistosoma mansoni inositol transporter 0.0315 0.4561 0.6834
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.013 0.1442 0.2161
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.008 0.061 0.0915
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Echinococcus granulosus Niemann Pick C1 protein 0.0111 0.1132 0.1696
Loa Loa (eye worm) hypothetical protein 0.0049 0.0087 0.0087
Onchocerca volvulus 0.0152 0.1809 0.387
Toxoplasma gondii hypothetical protein 0.0114 0.1179 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0271 0.3811 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0111 0.1132 0.1696
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Loa Loa (eye worm) ACC-1 protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.008 0.061 0.061
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0282 0.3995 0.3995
Schistosoma mansoni patched 1 0.0111 0.1132 0.1696
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0282 0.3995 0.5985
Echinococcus granulosus sodium:myo inositol cotransporter 0.0315 0.4561 0.6834
Brugia malayi Cation transporter family protein 0.0282 0.3995 0.3995
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.013 0.1442 0.2161
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0282 0.3995 0.5985
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0058 0.0226 0.0338
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0271 0.3811 0.571
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0154 0.1851 1
Echinococcus granulosus sodium:glucose cotransporter 0.0315 0.4561 0.6834
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.1442 0.1442
Onchocerca volvulus 0.0282 0.3995 0.9211
Treponema pallidum aminopeptidase P 0.0077 0.0545 0.5
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0441 0.6674 1
Echinococcus granulosus nAChR subunit 0.0282 0.3995 0.5985
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.1132 0.1696
Echinococcus granulosus solute carrier family 5 0.0315 0.4561 0.6834
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Echinococcus granulosus high affinity choline transporter 1 0.008 0.061 0.0915
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Brugia malayi Cation transporter family protein 0.0282 0.3995 0.3995
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0282 0.3995 0.5985
Onchocerca volvulus 0.0282 0.3995 0.9211
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0282 0.3995 0.3995
Brugia malayi GH02984p 0.008 0.061 0.061
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0282 0.3995 0.5985
Echinococcus granulosus inhibitor of apoptosis protein 0.0058 0.0226 0.0338
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0282 0.3995 0.3995
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.013 0.1442 0.1442
Brugia malayi hypothetical protein 0.013 0.1442 0.1442
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0282 0.3995 0.3995
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0271 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Echinococcus granulosus nAChR subunit 0.0152 0.1809 0.2711
Loa Loa (eye worm) hypothetical protein 0.0415 0.6227 0.6227
Brugia malayi Cation transporter family protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Brugia malayi hypothetical protein 0.013 0.1442 0.1442
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0058 0.0226 0.0338
Schistosoma mansoni hypothetical protein 0.0058 0.0226 0.0338
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0282 0.3995 0.5985
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.013 0.1442 0.2161
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0282 0.3995 0.3995
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0282 0.3995 0.5985
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0282 0.3995 0.5985
Echinococcus multilocularis protein patched 0.0111 0.1132 0.1696
Loa Loa (eye worm) hypothetical protein 0.0271 0.3811 0.3811
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.013 0.1442 0.1442
Echinococcus granulosus sterol regulatory element binding protein 0.0111 0.1132 0.1696
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0282 0.3995 0.3995
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0154 0.1851 0.1851
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0152 0.1809 0.1809
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0282 0.3995 0.3995
Echinococcus multilocularis glycine receptor subunit beta 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0282 0.3995 0.3995
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0058 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0282 0.3995 0.3995
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0154 0.1851 0.2774
Loa Loa (eye worm) hypothetical protein 0.0058 0.0226 0.0226
Loa Loa (eye worm) GABA receptor subunit 0.0152 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.008 0.061 0.0915
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Onchocerca volvulus 0.0282 0.3995 0.9211
Schistosoma mansoni neurotransmitter gated ion channel 0.013 0.1442 0.2161
Echinococcus multilocularis solute carrier family 5 0.0315 0.4561 0.6834
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0152 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0111 0.1132 0.1132
Echinococcus multilocularis nAChR subunit 0.0152 0.1809 0.2711
Brugia malayi hypothetical protein 0.013 0.1442 0.1442
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0441 0.6674 0.6674
Schistosoma mansoni inhibitor of apoptosis protein 0.0058 0.0226 0.0338
Onchocerca volvulus 0.0282 0.3995 0.9211
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0282 0.3995 0.3995
Brugia malayi Sodium:solute symporter family protein 0.008 0.061 0.061
Echinococcus granulosus glycine receptor subunit beta 0.0282 0.3995 0.5985
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.013 0.1442 0.1442
Schistosoma mansoni sodium/solute symporter 0.008 0.061 0.0915
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0152 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Echinococcus granulosus sodium:glucose cotransporter 2 0.0315 0.4561 0.6834
Echinococcus granulosus glycine receptor subunit alpha 1 0.0282 0.3995 0.5985
Onchocerca volvulus Putative nachr subunit 0.0282 0.3995 0.9211
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.013 0.1442 0.1442
Onchocerca volvulus 0.0152 0.1809 0.387
Brugia malayi metallopeptidase family M24 containing protein 0.0077 0.0545 0.0545
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.1442 0.1442
Brugia malayi hypothetical protein 0.013 0.1442 0.1442
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0282 0.3995 0.5985
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0282 0.3995 0.3995
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0058 0.0226 0.0226
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0282 0.3995 0.5985
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0282 0.3995 0.3995
Echinococcus granulosus glycine receptor subunit alpha 1 0.0282 0.3995 0.5985
Onchocerca volvulus 0.0282 0.3995 0.9211
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0282 0.3995 0.5985
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0154 0.1851 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0152 0.1809 0.2711
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0154 0.1851 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0271 0.3811 0.571
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0154 0.1851 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0282 0.3995 0.5985
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.1393 0.3635
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0077 0.0545 0.1229
Loa Loa (eye worm) hypothetical protein 0.0111 0.1132 0.1132
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0271 0.3811 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0282 0.3995 0.5985
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0315 0.4561 0.6834
Brugia malayi hypothetical protein 0.0301 0.4317 0.4317
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0441 0.6674 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Echinococcus multilocularis Niemann Pick C1 protein 0.0111 0.1132 0.1696
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0282 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0282 0.3995 0.3995
Echinococcus multilocularis glycine receptor subunit beta 0.0282 0.3995 0.5985
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.013 0.1442 0.1442
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0154 0.1851 0.2774
Schistosoma mansoni twik family of potassium channels-related 0.0441 0.6674 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Chlamydia trachomatis outer membrane protein PmpE 0.0075 0.0519 0.5
Onchocerca volvulus 0.013 0.1442 0.2973
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0152 0.1809 0.1809
Echinococcus granulosus glycine receptor subunit beta 0.0282 0.3995 0.5985
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Schistosoma mansoni nAChR subunit 0.013 0.1442 0.2161
Onchocerca volvulus 0.013 0.1442 0.2973
Brugia malayi hypothetical protein 0.013 0.1442 0.1442
Schistosoma mansoni inositol transporter 0.0315 0.4561 0.6834
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.013 0.1442 0.2161
Schistosoma mansoni nAChR subunit 0.013 0.1442 0.2161
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) ACC-1 protein 0.0282 0.3995 0.3995
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.008 0.061 0.1038
Schistosoma mansoni neurotransmitter gated ion channel 0.013 0.1442 0.2161
Echinococcus granulosus glycine receptor subunit alpha 1 0.0282 0.3995 0.5985
Echinococcus multilocularis xaa pro aminopeptidase 0.0077 0.0545 0.0816
Onchocerca volvulus 0.013 0.1442 0.2973
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0282 0.3995 0.3995
Giardia lamblia Rab geranylgeranyltransferase 0.0154 0.1851 1
Chlamydia trachomatis outer membrane protein PmpC 0.0075 0.0519 0.5
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0154 0.1851 0.1851
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0154 0.1851 0.2774
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0114 0.1179 0.0654
Onchocerca volvulus 0.008 0.061 0.094
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0058 0.0226 0.0226
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Echinococcus multilocularis nAChR subunit 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Echinococcus multilocularis protein dispatched 1 0.0111 0.1132 0.1696
Echinococcus granulosus xaa pro aminopeptidase 0.0077 0.0545 0.0816
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0282 0.3995 0.5985
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.1442 0.1442
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0154 0.1851 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0282 0.3995 0.5985
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0282 0.3995 0.5985
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0271 0.3811 1
Echinococcus multilocularis high affinity choline transporter 1 0.008 0.061 0.0915
Loa Loa (eye worm) hypothetical protein 0.0301 0.4317 0.4317
Loa Loa (eye worm) acetylcholine receptor protein 0.013 0.1442 0.1442
Echinococcus multilocularis inhibitor of apoptosis protein 0.0058 0.0226 0.0338
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0639 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.1442 0.1442
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0271 0.3811 0.571
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0271 0.3811 0.5
Chlamydia trachomatis outer membrane protein PmpD 0.0075 0.0519 0.5
Chlamydia trachomatis outer membrane protein PmpB 0.0075 0.0519 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0282 0.3995 0.5985
Onchocerca volvulus 0.0301 0.4317 1
Loa Loa (eye worm) hypothetical protein 0.008 0.061 0.061
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0271 0.3811 0.3811
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0154 0.1851 0.1851
Schistosoma mansoni high-affinity choline transporter 0.008 0.061 0.0915
Schistosoma mansoni acetylcholine receptor subunit beta 0.013 0.1442 0.2161
Loa Loa (eye worm) hypothetical protein 0.0282 0.3995 0.3995
Schistosoma mansoni nAChR subunit 0.0282 0.3995 0.5985
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0058 0.0226 0.0338
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0282 0.3995 0.5985
Loa Loa (eye worm) hypothetical protein 0.0152 0.1809 0.1809

Activities

Activity type Activity value Assay description Source Reference
Change in Cl- current (functional) = 0.33 In vitro GABA-mediated chloride current in A293 cells expressing GABA-A benzodiazepine receptor alpha1-beta2-gamma2 subunits at 5 uM ChEMBL. 10197957
Change in Cl- current (functional) = 0.33 In vitro GABA-mediated chloride current in A293 cells expressing GABA-A benzodiazepine receptor alpha1-beta2-gamma2 subunits at 5 uM ChEMBL. 10197957
ED50 (functional) > 50 mg kg-1 In vivo efficacy evaluated for ability to antagonize metrazole induced clonic convulsions in rat after ip injection ChEMBL. 10197957
Ki (binding) = 470 nM Displacement of [3H]-flunitrazepam from GABA-A benzodiazepine receptor of rat cortical membranes ChEMBL. 10197957
Ki (binding) = 470 nM Displacement of [3H]-flunitrazepam from GABA-A benzodiazepine receptor of rat cortical membranes ChEMBL. 10197957
Shift (binding) = 0.48 Shift in [35S]-TBPS binding to GABA-A Benzodiazepine receptor of rat brain membrane ChEMBL. 10197957
Shift (binding) = 0.48 Shift in [35S]-TBPS binding to GABA-A Benzodiazepine receptor of rat brain membrane ChEMBL. 10197957

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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