Detailed information for compound 449535

Basic information

Technical information
  • TDR Targets ID: 449535
  • Name: 2-bromo-5-[(1R,5S)-3,6-diazabicyclo[3.2.0]hep tan-6-yl]pyridine-3-carboxamide
  • MW: 297.151 | Formula: C11H13BrN4O
  • H donors: 2 H acceptors: 2 LogP: 0.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cc(cnc1Br)N1C[C@@H]2[C@H]1CNC2
  • InChi: 1S/C11H13BrN4O/c12-10-8(11(13)17)1-7(3-15-10)16-5-6-2-14-4-9(6)16/h1,3,6,9,14H,2,4-5H2,(H2,13,17)/t6-,9-/m1/s1
  • InChiKey: DJIVREMQUWCGHZ-HZGVNTEJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-bromo-5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinecarboxamide
  • 2-bromo-5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, nicotinic, alpha 4 (neuronal) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Putative nachr subunit Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Echinococcus granulosus carboxylesterase 5A 0.0135 1 1
Onchocerca volvulus 0.0023 0.116 0.1596
Leishmania major hypothetical protein, conserved 0.0024 0.1277 1
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.116 0.116
Echinococcus multilocularis tyrosine protein kinase Abl 0.0008 0.0007 0.0007
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0101 0.7266 0.7266
Brugia malayi Carboxylesterase family protein 0.0023 0.116 0.116
Onchocerca volvulus 0.0015 0.0546 0.0751
Echinococcus granulosus tyrosine protein kinase Src42A 0.0032 0.1863 0.1863
Brugia malayi excitatory GABA receptor EXP-1A 0.0015 0.0546 0.0546
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0015 0.0546 0.0546
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.116 0.116
Brugia malayi hypothetical protein 0.0023 0.116 0.116
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0101 0.7266 0.7266
Brugia malayi SRC-1 0.0036 0.2222 0.2222
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0101 0.7266 0.7266
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0015 0.0546 0.0546
Brugia malayi Carboxylesterase family protein 0.0023 0.116 0.116
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0015 0.0546 0.0546
Schistosoma mansoni gliotactin 0.0023 0.116 0.116
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0101 0.7266 0.7266
Brugia malayi Cation transporter family protein 0.0015 0.0546 0.0546
Entamoeba histolytica protein kinase, putative 0.0029 0.1657 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0546 0.0546
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0036 0.2222 0.2222
Echinococcus multilocularis neuroligin 0.0023 0.116 0.116
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Schistosoma mansoni tyrosine kinase 0.0036 0.2222 0.2222
Onchocerca volvulus 0.0023 0.116 0.1596
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0015 0.0546 0.0546
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Onchocerca volvulus 0.0015 0.0546 0.0751
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.1277 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.116 0.116
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0015 0.0546 0.0546
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.2222 0.2222
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0546 0.0546
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.116 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0791 0.5
Onchocerca volvulus 0.0015 0.0546 0.0751
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0007 0.0007
Onchocerca volvulus Putative nachr subunit 0.0101 0.7266 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0791 0.4772
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.2222 0.2222
Loa Loa (eye worm) ACC-1 protein 0.0015 0.0546 0.0546
Onchocerca volvulus 0.0023 0.116 0.1596
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1277 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0015 0.0546 0.0546
Echinococcus multilocularis tyrosine protein kinase Srms 0.0033 0.1943 0.1943
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.116 0.116
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0015 0.0546 0.0546
Loa Loa (eye worm) carboxylesterase 0.0023 0.116 0.116
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.116 0.116
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0007 0.0007
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0015 0.0546 0.0546
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.1277 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0036 0.2222 0.2222
Echinococcus multilocularis acetylcholinesterase 0.0135 1 1
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Onchocerca volvulus 0.0015 0.0546 0.0751
Loa Loa (eye worm) carboxylesterase 0.0135 1 1
Echinococcus granulosus acetylcholinesterase 0.0135 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0101 0.7266 0.7266
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.116 0.116
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0101 0.7266 0.7266
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0546 0.0546
Loa Loa (eye worm) TK protein kinase 0.0029 0.1657 0.1657
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0791 0.0791
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.1277 1
Brugia malayi Cation transporter family protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0015 0.0546 0.0546
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.0546 0.0546
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0007 0.0007
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0036 0.2222 0.2222
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0015 0.0546 0.0546
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0791 0.5
Echinococcus granulosus neuroligin 0.0023 0.116 0.116
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0015 0.0546 0.0546
Echinococcus multilocularis glycine receptor subunit beta 0.0015 0.0546 0.0546
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0101 0.7266 0.7266
Echinococcus multilocularis carboxylesterase 5A 0.0135 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.2222 0.2222
Loa Loa (eye worm) ACC-1 protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0791 0.0791
Echinococcus multilocularis tyrosine protein kinase Blk 0.0033 0.1943 0.1943
Brugia malayi protein-tyrosine kinase 0.0033 0.1943 0.1943
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0546 0.0546
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0032 0.1863 0.1863
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0791 0.0791
Echinococcus multilocularis nAChR subunit 0.0015 0.0546 0.0546
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0015 0.0546 0.0546
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0015 0.0546 0.0546
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0546 0.0546
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1277 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0036 0.2222 0.2222
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.116 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0036 0.2222 0.2222
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0015 0.0546 0.0546
Brugia malayi Cation transporter family protein 0.0015 0.0546 0.0546
Brugia malayi Carboxylesterase family protein 0.0023 0.116 0.116
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0101 0.7266 0.7266
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Echinococcus granulosus tyrosine protein kinase Src64B 0.0036 0.2222 0.2222
Echinococcus granulosus acetylcholinesterase 0.0135 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.0546 0.0546
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.116 0.116
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0007 0.0007
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Schistosoma mansoni ap endonuclease 0.0018 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0024 0.1277 0.1277
Loa Loa (eye worm) SRC-1 0.0036 0.2222 0.2222
Schistosoma mansoni ap endonuclease 0.0018 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0036 0.2222 0.2222
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Brugia malayi Carboxylesterase family protein 0.0135 1 1
Schistosoma mansoni nAChR subunit 0.0015 0.0546 0.0546
Onchocerca volvulus 0.0015 0.0546 0.0751
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.0546 0.0546
Schistosoma mansoni tyrosine kinase 0.0008 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0029 0.1657 0.1657
Onchocerca volvulus 0.0023 0.116 0.1596
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.2222 0.2222
Echinococcus multilocularis tyrosine protein kinase HCK 0.0029 0.1657 0.1657
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0546 0.0546
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.116 0.116
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0221 0.0221
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.1943 0.1943
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.0546 0.0546
Brugia malayi hypothetical protein 0.0016 0.0598 0.0598
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.116 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0015 0.0546 0.0546
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Brugia malayi Tyrosine-protein kinase abl-1 0.0008 0.0007 0.0007
Brugia malayi hypothetical protein 0.0024 0.1277 0.1277
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Loa Loa (eye worm) hypothetical protein 0.0023 0.116 0.116
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.116 1
Loa Loa (eye worm) LGC-31 protein 0.0015 0.0546 0.0546
Echinococcus granulosus tyrosine kinase 0.0033 0.1943 0.1943
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0015 0.0546 0.0546
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0015 0.0546 0.0546
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.2222 0.2222
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.0546 0.0546
Schistosoma mansoni hypothetical protein 0.0011 0.0221 0.0221
Echinococcus multilocularis acetylcholinesterase 0.0135 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0036 0.2222 0.2222
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0015 0.0546 0.0546
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0546 0.0546
Brugia malayi Carboxylesterase family protein 0.0023 0.116 0.116
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0033 0.1943 0.1943
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.116 0.116
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0791 0.0791
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0036 0.2222 0.2222
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0036 0.2222 0.2222
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.0546 0.0546
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0546 0.0546
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0791 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Schistosoma mansoni acetylcholinesterase 0.0023 0.116 0.116
Loa Loa (eye worm) hypothetical protein 0.0015 0.0546 0.0546
Loa Loa (eye worm) TK protein kinase 0.0033 0.1943 0.1943
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.116 1
Echinococcus granulosus nAChR subunit 0.0015 0.0546 0.0546
Onchocerca volvulus 0.0015 0.0546 0.0751
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0546 0.0546
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0015 0.0546 0.0546
Echinococcus multilocularis glycine receptor subunit beta 0.0015 0.0546 0.0546
Loa Loa (eye worm) acetylcholinesterase 1 0.0135 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0101 0.7266 0.7266
Loa Loa (eye worm) carboxylesterase 0.0023 0.116 0.116
Schistosoma mansoni tyrosine kinase 0.0036 0.2222 0.2222
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0546 0.0546
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.0546 0.0546
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.2222 0.2222
Onchocerca volvulus 0.0023 0.116 0.1596
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.1277 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.116 0.116
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0015 0.0546 0.0546
Echinococcus granulosus tyrosine protein kinase Src42A 0.0036 0.2222 0.2222
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.116 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0546 0.0546
Echinococcus granulosus tyrosine protein kinase Blk 0.0033 0.1943 0.1943
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0221 0.0221
Schistosoma mansoni tyrosine kinase 0.0008 0.0007 0.0007
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.1277 1
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.116 0.116

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 88 % Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine ChEMBL. 17929796
Activity (functional) = 88 % Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine ChEMBL. 17929796
Activity (functional) = 155 % Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine ChEMBL. 17929796
Activity (functional) = 155 % Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay relative to nicotine ChEMBL. 17929796
EC50 (functional) = -5.95 Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
EC50 (functional) = -4.68 Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
EC50 (functional) = 1.1 uM Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
EC50 (functional) = 1.1 uM Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
EC50 (functional) = 21.2 uM Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
EC50 (functional) = 21.2 uM Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
Ki (binding) = 6.5 nM Displacement of [3H]cytisine from neuronal nicotinic acetylcholine receptor in rat brain membrane ChEMBL. 17929796
Log EC50 (functional) = 4.68 Agonist activity at recombinant human alpha3beta4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
Log EC50 (functional) = 5.95 Agonist activity at recombinant human alpha4beta2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay ChEMBL. 17929796
Log Ki (binding) = 8.19 Displacement of [3H]cytisine from neuronal nicotinic acetylcholine receptor in rat brain membrane ChEMBL. 17929796

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

1 literature reference was collected for this gene.

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