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name Structure Reference Source Properties Activities Metabolism

Cytisine

AlkaPlorer ID: AK004909

Synonym: None

IUPAC Name: (1R,9S)-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Structure

SMILES: O=C1C=CC=C2[C@H]3C[NH2+]C[C@H](C3)CN21

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InChI: InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/p+1/t8-,9+/m0/s1

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InChIKey: ANJTVLIZGCUXLD-DTWKUNHWSA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nicotiana raimondii Nicotiana Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Calonectria kyotensis Calonectria Nectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Candida albicans Candida Debaryomycetaceae Saccharomycetales Saccharomycetes Ascomycota Fungi Eukaryota
Crassostrea virginica Crassostrea Ostreidae Ostreida Bivalvia Mollusca Metazoa Eukaryota
Laburnum anagyroides Laburnum Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper dilatatum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Inulanthera calva Inulanthera Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pleurostylia opposita Pleurostylia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sophora griffithii Sophora Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum tequilense Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Macrocentrus cingulum Macrocentrus Braconidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Scolopia chinensis Scolopia Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tephrosia watsoniana Tephrosia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dendrobium cariniferum Dendrobium Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leucospermum reflexum Leucospermum Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Heliotropium hirsutissimum Heliotropium Heliotropiaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Amaranthus spinosus Amaranthus Amaranthaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None None Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Melilotus messanensis Melilotus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trollius europaeus Trollius Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sophora flavescens Sophora Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chaenorhinum minus Chaenorhinum Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 191.254

TPSA？: 38.61

MolLogP？: -0.4711999999999998

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris MDCK CC50 80000.0 nM 10.1021/ml500236n
Electrophorus electricus Acetylcholinesterase Inhibition 2.17 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition -3.85 % 10.1016/j.bmc.2012.09.040
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens Acetylcholine receptor; alpha1/beta1/delta/gamma EC50 11.0 nM 10.1016/j.bmcl.2004.11.073
Homo sapiens Acetylcholine receptor; alpha1/beta1/delta/gamma Efficacy 55.0 % 10.1016/j.bmcl.2004.11.073
Homo sapiens Acetylcholine receptor; alpha1/beta1/delta/gamma Ki 250.0 nM 10.1016/j.bmcl.2005.08.035
Homo sapiens Acetylcholine receptor; alpha1/beta1/delta/gamma Ki nan None 10.1021/np3007028
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens Beta-glucocerebrosidase Potency 17782.8 nM None
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 31622.8 nM None
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Fibroblast Growth Rate -0.82 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate -0.4 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.51 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.81 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.88 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.99 None 10.6019/CHEMBL5303304
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HEK-293T Growth Rate 0.46 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.75 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.79 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.88 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.9 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.92 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.99 None 10.6019/CHEMBL5303304
Homo sapiens Histone deacetylase 6 Inhibition -0.44 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 5.47 % 10.6019/CHEMBL4808148
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 14125.4 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 22387.2 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Microtubule-associated protein tau Potency 44668.4 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens Neuronal acetylcholine receptor; alpha2/beta4 Rmax 58.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta2 EC50 67000.0 nM 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta2 Rmax 23.0 uM 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta2 Rmax 55.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 26000.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 280.0 nM 10.1021/np3007028
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 480.0 nM 10.1021/jm401937a
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 525.0 nM 10.1016/j.bmcl.2006.08.049
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 840.0 nM 10.1016/j.bmcl.2005.04.036
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 840.0 nM 10.1016/j.bmcl.2005.08.035
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 840.0 nM 10.1021/jm050069n
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 1560.0 nM 10.1016/j.bmcl.2008.02.078
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Rmax 56.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Rmax 77.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Rmax 89.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 0.42 nM 10.1016/j.bmcl.2004.11.073
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 2000.0 nM 10.1021/jm401937a
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 38000.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Efficacy 6.5 % 10.1021/jm401937a
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Efficacy 56.0 % 10.1016/j.bmcl.2005.08.035
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Efficacy 59.0 % 10.1016/j.bmcl.2004.11.073
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 IC50 50.0 nM 10.1021/jm401937a
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 IC50 28000.0 nM 10.1021/jm401937a
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Inhibition 30.0 % 10.1016/j.bmcl.2005.04.036
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Inhibition 30.0 % 10.1016/j.bmcl.2005.08.035
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Inhibition 30.0 % 10.1021/jm050069n
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.23 nM 10.1016/j.bmcl.2005.04.036
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.23 nM 10.1016/j.bmcl.2005.08.035
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.28 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 2.0 nM 10.1021/jm401937a
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 2.59 nM 10.1016/j.bmcl.2006.08.049
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Response 56.0 % 10.1016/j.bmcl.2005.04.036
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Response 56.0 % 10.1021/jm050069n
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Rmax 2.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Rmax 11.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Rmax 42.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta4 Rmax 51.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta4 Rmax 70.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta4 Rmax 90.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit EC50 71000.0 nM 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit EC50 71000.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 1420.0 nM 10.1016/j.bmcl.2005.08.035
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 4200.0 nM 10.1016/j.bmcl.2005.04.036
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 5890.0 nM 10.1021/jm401937a
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens Prelamin-A/C Potency 63.1 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 99.71 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 106.19 % 10.1124/mol.112.084152
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens U2OS Growth Rate 0.79 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.94 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.97 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.99 None 10.6019/CHEMBL5303304
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 158489.3 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Influenza A virus Influenza A virus EC50 80000.0 nM 10.1021/ml500236n
Musca domestica Nicotinic acetylcholine receptor alpha 5 subunit Ki 1230.0 nM 10.1584/jpestics.17.4_231
Mus musculus Mus musculus LD50 1.73 mg.kg-1 10.1021/acs.jnatprod.8b00062
Rattus norvegicus Inositol monophosphatase 1 Potency 3162.3 nM None
Rattus norvegicus Neuronal acetylcholine receptor EC50 10000.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor Ki 2.5 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 1.07 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 1.4 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 5.41 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 37.0 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 37.2 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Affinity 220.0 nM 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 25.0 nM 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Efficacy 62.0 % 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 203.0 nM 10.1021/jm1006148
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 210.0 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 217.0 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Affinity 0.124 nM 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 8.8 nM 10.1021/jm0103561
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 nan nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 IC50 69.18 nM 10.1016/j.bmcl.2010.04.092
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.122 nM 10.1016/j.bmc.2013.09.059
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.122 nM 10.1016/j.bmc.2013.09.060
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.123 nM 10.1021/jm020859m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.17 nM 10.1016/j.bmcl.2005.04.036
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.17 nM 10.1021/jm050069n
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.34 nM 10.1021/jm900225j
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.4 nM 10.1016/j.bmc.2010.04.065
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.4 nM 10.1016/j.bmc.2020.115820
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.43 nM 10.1016/j.bmcl.2008.02.078
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.48 nM 10.1021/jm900225j
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 1.0 nM 10.1021/jm3011299
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 1.06 nM 10.1016/j.bmcl.2010.09.017
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 1.5 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 1.51 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 1.53 nM 10.1021/jm1006148
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 1.92 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 2.1 nM 10.1021/np3007028
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 2.78 nM 10.1021/jm010129z
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 4.2 nM 10.1021/jm0103561
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 2.1 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 2.2 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 0.9 nM 10.1021/jm010129z
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 230.0 nM 10.1021/np3007028
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 250.0 nM 10.1016/j.bmc.2013.09.059
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 261.0 nM 10.1016/j.bmc.2013.09.060
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 300.0 nM 10.1016/j.bmc.2010.04.065
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 331.0 nM 10.1021/jm900225j
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 1000.0 nM 10.1016/j.bmcl.2010.09.017
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 1700.0 nM 10.1016/j.bmc.2020.115820
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 4200.0 nM 10.1021/jm050069n
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 5820.0 nM 10.1016/j.bmcl.2008.02.078
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 8000.0 nM 10.1021/jm3011299
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Rmax 90.0 % 10.1021/jm040219e
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Rmax 105.0 % 10.1021/jm040219e
Rattus norvegicus Rattus norvegicus Activity 60.0 % 10.1016/j.bmc.2020.115820
Rattus norvegicus Rattus norvegicus Biodistribution 0.2 % 10.1021/jm9910223
Rattus norvegicus Rattus norvegicus EC50 60.0 nM 10.1021/jm970377o
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -2.316 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 14.59 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 20.97 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.12 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.12 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 5.71 % 10.21203/rs.3.rs-23951/v1
Torpedo californica Acetylcholine receptor Ki 250.0 nM 10.1021/jm050069n
Torpedo californica Acetylcholine receptor protein alpha chain Activity nan None 10.1584/jpestics.20.49
Torpedo californica Acetylcholine receptor protein alpha chain IC50 3530.0 nM 10.1584/jpestics.20.49
Torpedo californica Acetylcholine receptor protein delta chain EC50 100000.0 nM 10.1021/jm970377o
None ADMET Binding energy 12.1 kCal mol-1 10.1021/jm00378a021
None Unchecked Bmax 99.1 fmol/mg 10.1016/j.bmc.2020.115820
None Unchecked EC50 900.0 nM 10.1021/jm040219e
None Unchecked EC50 2700.0 nM 10.1021/jm040219e
None Unchecked EC50 39000.0 nM 10.1021/jm040219e
None Unchecked EC50 72000.0 nM 10.1021/jm040219e
None Unchecked IC50 140.0 nM 10.1021/np50111a026
None Unchecked IC50 267.0 nM 10.1584/jpestics.20.57
None Unchecked IC50 400000.0 nM 10.1021/np50111a026
None Unchecked IC50 1000000.0 nM 10.1584/jpestics.20.57
None Unchecked Inhibition 12.6 % 10.1584/jpestics.20.57
None Unchecked Kd 0.145 nM 10.1016/j.bmc.2020.115820
None Unchecked Ki 0.16 nM 10.1016/j.bmc.2020.115820
None Unchecked Ki 5.5 nM 10.1016/j.bmcl.2003.09.105
None Unchecked Ki 18.0 nM 10.1016/j.bmc.2013.09.060
None Unchecked Ki 19.0 nM 10.1016/j.bmc.2013.09.059
None Unchecked Ki 144.0 nM 10.1021/jm051196m
None Unchecked Ki 250.0 nM 10.1016/j.bmcl.2005.04.036
None Unchecked Ki 650.0 nM 10.1584/jpestics.17.4_231
None Unchecked Ki 1300.0 nM 10.1016/j.bmc.2013.09.059
None Unchecked Ki 1300.0 nM 10.1016/j.bmc.2013.09.060
None Unchecked Ki 400000.0 nM 10.1016/j.bmc.2020.115820
None Unchecked Potency 206.0 nM None
None Unchecked Ratio 1.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 4.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 6.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 84.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio Ki 203.0 None 10.1016/j.bmcl.2006.08.049

Metabolism Information