Detailed information for compound 76900

Basic information

Technical information
  • TDR Targets ID: 76900
  • Name: 7-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1, 2,4]triazolo[3,4-a]phthalazine
  • MW: 367.403 | Formula: C22H17N5O
  • H donors: 0 H acceptors: 4 LogP: 3.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc2c1c(OCc1ccccn1)nn1c2nnc1c1ccccc1
  • InChi: 1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3
  • InChiKey: YBDWNOIXXLVZJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methyl-3-phenyl-6-(2-pyridylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, gamma 2 Starlite/ChEMBL References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 2 Starlite/ChEMBL References
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, beta 3 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_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131775 All targets in OG5_131775
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 excitatory GABA receptor EXP-1A gamma-aminobutyric acid (GABA) A receptor, beta 3 473 aa 441 aa 29.9 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.0098 0.1708
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0035 0.0611
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0122 0.2431
Loa Loa (eye worm) hypothetical protein 0.0049 0.0113 0.0627
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0035 0.0611
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0059 0.0327
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0471 0.1806 1
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0035 0.0611
Schistosoma mansoni carbonic anhydrase 0.0028 0.003 0.0531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0098 0.171
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0035 0.0193
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0122 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0028 0.003 0.2123
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.003 0.0168
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0045 0.0098 0.012
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0175 0.017
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0035 0.0611
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0098 0.054
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0059 0.4594
Trypanosoma brucei carbonic anhydrase-like protein 0.0028 0.003 0.2123
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0122 0.6868
Echinococcus granulosus single minded 2 0.0038 0.0068 0.0084
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0045 0.0098 0.054
Brugia malayi nuclear receptor NHR-88 0.003 0.0035 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0035 0.0193
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0045 0.0098 0.1708
Echinococcus multilocularis carbonic anhydrase 0.0028 0.003 0.0531
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0175 0.354
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0059 1
Onchocerca volvulus 0.0045 0.0098 1
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0035 0.0043
Brugia malayi Cytochrome P450 family protein 0.0053 0.013 0.0719
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0059 0.0073
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0035 0.0193
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0098 0.054
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0024 0.0014 0.0078
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0045 0.0098 0.1708
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Toxoplasma gondii ATP-citrate lyase, putative 0.0142 0.0485 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.0937 0.5188
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0035 0.0193
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0122 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0122 1
Onchocerca volvulus 0.0045 0.0098 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0045 0.0098 0.1708
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0035 0.0193
Onchocerca volvulus 0.0024 0.0014 0.1438
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0059 0.0054
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0045 0.0098 0.054
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0059 0.4594
Schistosoma mansoni thyroid hormone receptor 0.0163 0.0571 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0098 0.1708
Brugia malayi excitatory GABA receptor EXP-1A 0.0045 0.0098 0.054
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0035 0.0611
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0098 0.1708
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0035 0.0193
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0045 0.0098 0.054
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0059 0.4594
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0035 0.0193
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.039 0.2157
Chlamydia trachomatis succinyl-CoA ligase subunit alpha 0.0022 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Onchocerca volvulus 0.0045 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0035 0.0611
Echinococcus multilocularis nAChR subunit 0.0045 0.0098 0.1708
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0122 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0059 0.0054
Brugia malayi beta-lactamase family protein 0.0036 0.0059 0.0327
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.0121 0.2123
Echinococcus granulosus succinyl coenzyme A synthetase alpha subunit 0.0022 0.0006 0.0007
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0098 0.054
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0098 0.1708
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0024 0.0014 0.0078
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0035 0.0043
Loa Loa (eye worm) beta-lactamase 0.0036 0.0059 0.0327
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0098 0.0541
Loa Loa (eye worm) hypothetical protein 0.0241 0.0884 0.4895
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0122 0.6868
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0059 0.0054
Brugia malayi beta-lactamase 0.0036 0.0059 0.0327
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.039 0.2157
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0035 0.0043
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0327
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.003 0.0531
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0059 0.0054
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0035 0.0611
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0175 1
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0068 0.1191
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0045 0.0098 0.1708
Onchocerca volvulus 0.0038 0.0068 0.6976
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.003 0.0168
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0045 0.0098 0.1708
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0035 0.0043
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Brugia malayi MAP kinase sur-1 0.0051 0.0122 0.0676
Echinococcus granulosus nAChR subunit 0.0045 0.0098 0.012
Onchocerca volvulus 0.0045 0.0098 1
Onchocerca volvulus 0.003 0.0035 0.3576
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0059 0.0054
Loa Loa (eye worm) ATP-citrate synthase 0.0142 0.0485 0.2685
Echinococcus multilocularis glycine receptor subunit beta 0.0045 0.0098 0.1708
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0175 0.017
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0035 0.0193
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0035 0.0193
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0059 0.4594
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0045 0.0098 0.054
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0035 0.0611
Loa Loa (eye worm) ACC-1 protein 0.0045 0.0098 0.054
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0028 0.003 0.0531
Onchocerca volvulus 0.0036 0.0059 0.6058
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0045 0.0098 0.054
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Brugia malayi ATP-citrate synthase 0.0142 0.0485 0.2685
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0035 0.0611
Loa Loa (eye worm) hypothetical protein 0.0028 0.003 0.0168
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.003 0.0168
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0059 0.1034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0035 0.0611
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.2514 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Onchocerca volvulus 0.0045 0.0098 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0059 0.0054
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0045 0.0098 0.012
Brugia malayi MH2 domain containing protein 0.0118 0.039 0.2157
Loa Loa (eye worm) hypothetical protein 0.022 0.08 0.4432
Loa Loa (eye worm) hypothetical protein 0.0034 0.0051 0.0282
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0098 0.054
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0134 0.0453 0.0558
Loa Loa (eye worm) hypothetical protein 0.0416 0.1583 0.8766
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0051 0.0282
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.0098 0.012
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0327
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0122 0.2137
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0059 0.1034
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0028 0.003 0.0531
Echinococcus multilocularis thyroid hormone receptor alpha 0.0163 0.0571 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0327
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.003 0.0531
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0035 0.0611
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0045 0.0098 0.012
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.0098 0.1708
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.003 0.0168
Brugia malayi Cation transporter family protein 0.0045 0.0098 0.054
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0035 0.0611
Echinococcus granulosus glycine receptor subunit beta 0.0045 0.0098 0.012
Onchocerca volvulus 0.0024 0.0014 0.1438
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0035 0.0193
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0175 0.017
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0175 0.3066
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0059 0.1034
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0045 0.0098 0.1708
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Loa Loa (eye worm) GABA receptor subunit 0.0024 0.0014 0.0078
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.003 0.0168
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0175 0.3066
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0045 0.0098 0.054
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.0098 0.1708
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0045 0.0098 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0035 0.0193
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0035 0.0043
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0045 0.0098 0.1708
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0098 0.171
Onchocerca volvulus 0.0036 0.0059 0.6058
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0035 0.0193
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0059 0.4594
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0327
Brugia malayi beta-lactamase family protein 0.0036 0.0059 0.0327
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0113 0.0627
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0098 0.054
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.003 0.0168
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Echinococcus granulosus Solute carrier family 22 5 0.2045 0.812 1
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0068 0.0377
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0045 0.0098 0.1708
Echinococcus granulosus FTZ F1 alpha 0.003 0.0035 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0035 0.0193
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0045 0.0098 0.054
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0045 0.0098 0.012
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0122 0.015
Schistosoma mansoni hypothetical protein 0.0034 0.0051 0.0891
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0113 0.0627
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.0828 0.0823
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0122 0.5
Schistosoma mansoni coup transcription factor 0.003 0.0035 0.0611
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0035 0.0193
Mycobacterium tuberculosis Conserved protein 0.0036 0.0059 0.0054
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.003 0.0531
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0241 0.0884 0.4895
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0098 0.054
Onchocerca volvulus Putative nachr subunit 0.0045 0.0098 1
Leishmania major carbonic anhydrase-like protein 0.0028 0.003 0.1458
Brugia malayi Cation transporter family protein 0.0045 0.0098 0.054
Brugia malayi nuclear hormone receptor 0.003 0.0035 0.0193
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0327
Leishmania major hypothetical protein, conserved 0.0036 0.0059 0.3155
Echinococcus granulosus carbonic anhydrase 0.0028 0.003 0.0037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0035 0.0193
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0045 0.0098 0.054
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0028 0.003 0.2123
Onchocerca volvulus 0.0036 0.0059 0.6058
Loa Loa (eye worm) LGC-31 protein 0.0045 0.0098 0.054
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0045 0.0098 0.012
Mycobacterium tuberculosis Conserved protein 0.0036 0.0059 0.0054
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0035 0.0193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0098 0.171
Brugia malayi succinyl-CoA ligase [GDP-forming] alpha-chain, mitochindrial 0.0022 0.0006 0.0031
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0045 0.0098 0.054
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0035 0.0043
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0035 0.0193
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0098 0.012
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0122 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0122 1
Mycobacterium ulcerans putative regulatory protein 0.0038 0.0068 0.0063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0098 0.171
Mycobacterium leprae Probable lipase LipE 0.0036 0.0059 0.0054
Toxoplasma gondii ABC1 family protein 0.0036 0.0059 0.1117
Brugia malayi PAS domain containing protein 0.0051 0.0121 0.0672
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.2514 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0122 0.2137
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0113 0.0627
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0327
Mycobacterium ulcerans beta-lactamase 0.0036 0.0059 0.0054
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0045 0.0098 0.054
Echinococcus granulosus carbonic anhydrase 0.0028 0.003 0.0037
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0024 0.0014 0.0245
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0045 0.0098 0.1708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0035 0.0193
Brugia malayi hypoxia-induced factor 1 0.0158 0.0551 0.3049
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0024 0.0014 0.0245
Brugia malayi ecdysteroid receptor 0.003 0.0035 0.0193
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0134 0.0453 0.7927
Echinococcus granulosus nAChR subunit 0.0024 0.0014 0.0017
Mycobacterium tuberculosis Conserved protein 0.0036 0.0059 0.0054
Plasmodium falciparum carbonic anhydrase 0.0028 0.003 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0035 0.0193
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0098 0.054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0035 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0035 0.0611
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0024 0.0014 0.0078
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0059 0.0054
Brugia malayi hypothetical protein 0.0171 0.0604 0.3343
Brugia malayi Cation transporter family protein 0.0045 0.0098 0.054
Schistosoma mansoni hypothetical protein 0.0134 0.0453 0.7927
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0045 0.0098 0.012
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0045 0.0098 0.054
Echinococcus multilocularis carbonic anhydrase 0.0028 0.003 0.0531
Toxoplasma gondii hypothetical protein 0.0028 0.003 0.0516
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0175 0.3066
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.0098 0.012
Loa Loa (eye worm) hypothetical protein 0.0028 0.003 0.0168
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0035 0.3576
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0035 0.0193
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0028 0.003 0.0168
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0045 0.0098 0.012
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Echinococcus multilocularis carbonic anhydrase II 0.0028 0.003 0.0531
Echinococcus multilocularis nAChR subunit 0.0024 0.0014 0.0245
Schistosoma mansoni succinyl-CoA synthetase-related 0.0022 0.0006 0.0098
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0059 0.0327
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0045 0.0098 0.054
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.003 0.0168
Echinococcus multilocularis succinyl coenzyme A synthetase alpha subunit 0.0022 0.0006 0.0098
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0035 0.3576
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0059 0.0054
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0122 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0098 0.054
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Echinococcus multilocularis glycine receptor subunit beta 0.0045 0.0098 0.1708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0035 0.0193
Loa Loa (eye worm) carbonic anhydrase 3 0.0028 0.003 0.0168
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.013 0.0719
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0059 0.4594
Loa Loa (eye worm) hypothetical protein 0.0028 0.003 0.0168
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0035 0.0043
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0024 0.0014 0.0078
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0122 0.015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0035 0.0193
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.0098 0.012
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0193
Entamoeba histolytica hypothetical protein 0.0024 0.0014 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0175 0.0216
Echinococcus granulosus glycine receptor subunit beta 0.0045 0.0098 0.012
Echinococcus granulosus carbonic anhydrase 0.0028 0.003 0.0037
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0035 0.3576
Loa Loa (eye worm) ACC-1 protein 0.0045 0.0098 0.054
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.003 0.0168
Loa Loa (eye worm) succinate-CoA ligase 0.0022 0.0006 0.0031
Schistosoma mansoni ATP-citrate synthase 0.0124 0.0415 0.7266
Mycobacterium ulcerans hypothetical protein 0.0036 0.0059 0.0054
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Wolbachia endosymbiont of Brugia malayi succinyl-CoA synthetase, alpha subunit 0.0022 0.0006 0.5
Schistosoma mansoni nuclear hormone receptor 0.003 0.0035 0.0611
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0059 0.0054
Schistosoma mansoni single-minded 0.0051 0.0121 0.2123
Schistosoma mansoni neurotransmitter gated ion channel 0.0024 0.0014 0.0245
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0098 0.0541
Schistosoma mansoni hypothetical protein 0.0028 0.003 0.0531
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0035 0.0611
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0035 0.0611
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0035 0.0611
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0175 0.017
Onchocerca volvulus 0.0022 0.0006 0.0572
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0059 0.4594
Trichomonas vaginalis esterase, putative 0.0036 0.0059 0.4594
Echinococcus granulosus carbonic anhydrase II 0.0028 0.003 0.0037
Loa Loa (eye worm) hypothetical protein 0.0024 0.0014 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0059 0.4594
Loa Loa (eye worm) hypoxia-induced factor 1 0.0158 0.0551 0.3049
Brugia malayi follicle stimulating hormone receptor 0.0471 0.1806 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0059 0.0054
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0122 0.2137
Loa Loa (eye worm) hypothetical protein 0.0171 0.0604 0.3343
Schistosoma mansoni nAChR subunit 0.0045 0.0098 0.1708
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0059 0.0054
Onchocerca volvulus 0.0045 0.0098 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0098 0.171
Trypanosoma brucei protein kinase, putative 0.0051 0.0122 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0035 0.0611
Brugia malayi steroid hormone receptor 0.003 0.0035 0.0193
Schistosoma mansoni thyroid hormone receptor 0.0163 0.0571 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0098 0.054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0035 0.0193
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0122 0.0676
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0045 0.0098 0.1708
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0035 0.0193
Echinococcus multilocularis carbonic anhydrase 0.0028 0.003 0.0531
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0098 0.012
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.054
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0122 1

Activities

Activity type Activity value Assay description Source Reference
Efficacy (functional) = 39 % Maximum percent change compared to GABA EC20 against GABA-A alpha3-beta3-gamma2 receptor ChEMBL. 15027873
Efficacy (functional) = 39 % Maximum percent change compared to GABA EC20 against GABA-A alpha3-beta3-gamma2 receptor ChEMBL. 15027873
Efficacy (functional) = 43 % Maximum percent change compared to GABA EC20 against GABA-A alpha1-beta3-gamma2 receptor ChEMBL. 15027873
Efficacy (functional) = 43 % Maximum percent change compared to GABA EC20 against GABA-A alpha1-beta3-gamma2 receptor ChEMBL. 15027873
Ki (binding) = 20 nM Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 20 nM Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 35 nM Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 35 nM Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 44 nM Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 44 nM Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 56 nM Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873
Ki (binding) = 56 nM Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells ChEMBL. 15027873

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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