Epibatidine; (±)-form, 4-Epimer

AlkaPlorer ID: AK297505

Synonym: None

IUPAC Name: 2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

Structure

SMILES: ClC1=NC=C(C2CC3CCC2N3)C=C1

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InChI: InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2

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InChIKey: NLPRAJRHRHZCQQ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Epipedobates anthonyi Epipedobates Dendrobatidae Anura Amphibia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 208.692

TPSA: 24.92

MolLogP: 2.3429

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aplysia californica Soluble acetylcholine receptor Ki 1.0 nM 10.1021/jf1019455
Drosophila melanogaster Acetylcholine receptor subunit beta-like 2 IC50 430.0 nM 10.1021/jf000873c
Drosophila melanogaster Acetylcholine receptor subunit beta-like 2 Ki 290.0 nM 10.1021/jf1019455
Electrophorus electricus Acetylcholinesterase Inhibition -10.09 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition 5.32 % 10.1016/j.bmc.2012.09.040
Gallus gallus Neuronal acetylcholine receptor subunit alpha-4 Ki 0.01 nM 10.1021/jf1019455
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 35481.3 nM None
Homo sapiens Acetylcholine receptor; alpha1/beta1/delta/gamma EC50 0.053 nM 10.1016/j.bmcl.2004.11.073
Homo sapiens Acetylcholine receptor; alpha1/beta1/delta/gamma Efficacy 100.0 % 10.1016/j.bmcl.2004.11.073
Homo sapiens Acetylcholine receptor protein alpha chain IC50 160.0 nM 10.1021/jf000873c
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 35481.3 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 44668.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 17782.8 nM None
Homo sapiens IMR-32 EC50 7.0 nM 10.1021/jm9506884
Homo sapiens IMR-32 EC50 34.0 nM 10.1021/jm970427p
Homo sapiens IMR-32 Intrinsic activity 145.6 % 10.1021/jm970427p
Homo sapiens IMR-32 Max 156.0 % 10.1021/jm9506884
Homo sapiens K177 cell line EC50 17.0 nM 10.1021/jm9506884
Homo sapiens K177 cell line EC50 350.0 nM 10.1021/jm970427p
Homo sapiens K177 cell line Intrinsic activity 148.1 % 10.1021/jm970427p
Homo sapiens K177 cell line Max 156.0 % 10.1021/jm9506884
Homo sapiens Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.091 nM 10.1016/j.bmcl.2003.09.081
Homo sapiens Neuronal acetylcholine receptor; alpha2/beta4 Rmax 115.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta2 Kd 0.03 nM 10.1021/jm0492406
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.035 nM 10.1021/jm0492406
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta2 Rmax 163.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Activity 0.005 uM 10.1021/jm000949w
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Activity 103.0 % 10.1021/jm070755h
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Activity 132.0 % 10.1016/j.bmcl.2009.01.099
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Activity nan None 10.1021/jm049707c
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Activity nan None 10.1021/np900727e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 7.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 10.0 nM 10.1021/jm070755h
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 12.02 nM 10.1021/jm070755h
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 19.0 nM 10.1016/j.bmcl.2003.09.081
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 27.0 nM 10.1016/j.bmcl.2009.01.099
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 28.25 nM 10.1021/jm049707c
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 ED50 19.0 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 INH 0.3 nM 10.1016/j.bmcl.2009.11.023
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Kd 0.3 nM 10.1021/jm0492406
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.15 nM 10.1016/j.ejmech.2018.04.026
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.191 nM 10.1016/j.bmcl.2006.08.049
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.22 nM 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.23 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.457 nM 10.1016/j.bmcl.2003.09.081
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ratio Ki 50.0 None 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Rmax 40.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Rmax 267.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Activity 0.005 uM 10.1021/jm000949w
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Activity 133.0 % 10.1021/jm070755h
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Activity 154.0 % 10.1016/j.bmcl.2009.01.099
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 0.0088 nM 10.1016/j.bmcl.2004.11.073
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 0.02 nM 10.1021/jm300030r
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 17.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 25.0 nM 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 27.0 nM 10.1021/jm070018l
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 27.54 nM 10.1021/jm070018l
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 50.0 nM 10.1021/jm070755h
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 53.7 nM 10.1021/jm070755h
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 120.0 nM 10.1016/j.bmcl.2009.01.099
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 ED50 17.0 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Efficacy 100.0 % 10.1016/j.bmcl.2004.11.073
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Emax 135.0 % 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 IC50 1.06 nM 10.1016/j.bmcl.2007.09.026
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 INH 0.1 nM 10.1016/j.bmcl.2009.11.023
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.01 nM 10.1021/jm010508s
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.033 nM 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.035 nM 10.1016/s0960-894x(02)00936-8
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.046 nM 10.1016/j.bmcl.2003.09.081
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.05 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.05 nM 10.1021/jm990093z
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.0558 nM 10.1016/j.bmcl.2006.08.049
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.06 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.07 nM 10.1007/s00044-005-0137-8
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ratio Ki 10.0 None 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Rmax 117.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.072 nM 10.1016/j.bmcl.2003.09.081
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta4 Rmax 85.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta4 Rmax 99.0 % 10.1021/jm040219e
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit EC50 3500.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit ED50 1100.0 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit IC50 31.0 nM 10.1021/jf000873c
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Kd 1.06 nM 10.1016/j.bmcl.2004.12.069
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Kd 6.31 nM 10.1016/j.bmc.2012.06.054
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 2.2 nM 10.1016/j.bmc.2020.115820
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 2.7 nM 10.1021/acs.jnatprod.8b00062
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 10.0 nM 10.1016/j.bmcl.2004.12.069
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 10.2 nM 10.1016/s0960-894x(02)00936-8
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 25.0 nM 10.1021/jm990093z
Homo sapiens Neuronal acetylcholine receptor subunit alpha-3 EC50 7.0 nM 10.1021/jm9706224
Homo sapiens Neuronal acetylcholine receptor subunit alpha-3 IA 156.0 % 10.1021/jm9706224
Homo sapiens Neuronal acetylcholine receptor subunit alpha-3 IC50 nan None 10.1021/jf000873c
Homo sapiens Regulator of G-protein signaling 4 Potency 29934.9 nM None
Homo sapiens TE-671 EC50 1260.0 nM 10.1021/jm970427p
Homo sapiens TE-671 Intrinsic activity 79.5 % 10.1021/jm970427p
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 31622.8 nM None
Lymnaea stagnalis Acetylcholine-binding protein Ki 0.3 nM 10.1021/jf1019455
Musca domestica Musca domestica LD50 25.0 mg.kg-1 10.1021/jf000873c
Mus musculus Mus musculus Activity nan None 10.1016/0960-894X(96)00005-4
Mus musculus Mus musculus EC50 0.01 mg kg-1 10.1016/j.bmcl.2004.08.026
Mus musculus Mus musculus ED50 0.00046 mg.kg-1 10.1021/jm0103561
Mus musculus Mus musculus ED50 0.00072 mg.kg-1 10.1021/jm0103561
Mus musculus Mus musculus ED50 0.001 mg.kg-1 10.1016/j.bmc.2007.10.027
Mus musculus Mus musculus ED50 0.001 mg.kg-1 10.1021/jm040160b
Mus musculus Mus musculus ED50 0.001 mg.kg-1 10.1021/jm401602p
Mus musculus Mus musculus ED50 0.004 mg.kg-1 10.1016/j.bmc.2007.10.027
Mus musculus Mus musculus ED50 0.004 mg.kg-1 10.1016/j.bmcl.2004.02.007
Mus musculus Mus musculus ED50 0.004 mg.kg-1 10.1021/jm040160b
Mus musculus Mus musculus ED50 0.004 mg.kg-1 10.1021/jm401602p
Mus musculus Mus musculus ED50 0.006 mg.kg-1 10.1016/j.bmc.2007.10.027
Mus musculus Mus musculus ED50 0.006 mg.kg-1 10.1016/j.bmcl.2004.02.007
Mus musculus Mus musculus ED50 0.006 mg.kg-1 10.1021/jm040160b
Mus musculus Mus musculus ED50 0.006 mg.kg-1 10.1021/jm401602p
Mus musculus Mus musculus ED50 0.007 mg.kg-1 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus ED50 0.009 mg.kg-1 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus ED50 0.01 mg.kg-1 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus ED50 0.0136 mg.kg-1 10.1016/j.bmc.2020.115820
Mus musculus Mus musculus ED50 0.02 mg.kg-1 10.1016/j.bmc.2020.115820
Mus musculus Mus musculus ED50 0.2892 mg.kg-1 10.1016/j.bmc.2020.115820
Mus musculus Mus musculus ED50 1.0 mg.kg-1 10.1016/j.bmcl.2004.02.007
Mus musculus Mus musculus ED50 1.0 mg.kg-1 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Efficacy 82.0 % 10.1021/jm970427p
Mus musculus Mus musculus Efficacy 100.0 % 10.1021/jm970427p
Mus musculus Mus musculus LD50 0.0015 mg.kg-1 10.1021/acs.jnatprod.8b00062
Mus musculus Mus musculus LD50 0.06 mg.kg-1 10.1021/jf000873c
Mus musculus Mus musculus MAD 0.001 mg kg-1 10.1021/jm970427p
Mus musculus Mus musculus Max possible effect 0.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 1.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 3.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 4.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 5.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 10.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 11.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 23.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 32.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 46.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 47.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 48.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 49.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 58.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 77.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 86.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus Max possible effect 89.0 % 10.1016/S0960-894X(01)80759-9
Mus musculus Mus musculus MED nan None 10.1021/jm9706224
Mus musculus Mus musculus MNTD 0.007 mg kg-1 10.1021/jm970427p
Mus musculus Mus musculus Ratio ED50 200.0 None 10.1016/j.bmc.2020.115820
Mus musculus Neuronal acetylcholine receptor protein alpha-4 subunit IC50 0.037 nM 10.1021/jf000873c
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1.0 nM 10.1021/jm9910627
Rattus norvegicus Muscarinic acetylcholine receptor M1 Inhibition 70.0 % 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kapp 1.4 uM 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kapp 1.6 uM 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kapp 6.9 uM 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kapp 16.0 uM 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ratio 4.3 None 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ratio 11.4 None 10.1016/j.bmc.2020.115820
Rattus norvegicus Neuronal acetylcholine receptor EC50 100.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor IC50 0.041 nM 10.1016/S0960-894X(97)10090-7
Rattus norvegicus Neuronal acetylcholine receptor IC50 0.3 nM 10.1021/jm9910627
Rattus norvegicus Neuronal acetylcholine receptor IC50 0.8 nM 10.1016/s0960-894x(03)00728-5
Rattus norvegicus Neuronal acetylcholine receptor IC50 3.7 nM 10.1016/s0960-894x(03)00728-5
Rattus norvegicus Neuronal acetylcholine receptor K app 0.024 nM 10.1021/jm970187d
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.021 nM 10.1016/S0960-894X(97)10090-7
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.034 nM 10.1016/j.bmcl.2003.09.081
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.041 nM 10.1021/acs.jnatprod.8b00062
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.043 nM 10.1021/jm9506884
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.043 nM 10.1021/jm9706224
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.064 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor Ki 0.29 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor Ratio Ki 25.0 None 10.1021/acs.jnatprod.8b00062
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Kd 0.02 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.01 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.02 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.025 nM 10.1016/j.bmcl.2003.10.071
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.025 nM 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.025 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.026 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Ki 0.11 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Kd 0.08 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.087 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.09 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.095 nM 10.1016/j.bmc.2009.05.021
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.095 nM 10.1016/j.bmcl.2003.10.071
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.095 nM 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.095 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Ki 0.095 nM 10.1021/jm800323d
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Kd 0.03 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.014 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.025 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.035 nM 10.1016/j.bmc.2009.05.021
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.035 nM 10.1016/j.bmcl.2003.10.071
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.035 nM 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.035 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.035 nM 10.1021/jm800323d
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.04 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Ki 0.16 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Activity 100.0 % 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Activity nan None 10.1021/np900727e
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Affinity 0.51 nM 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 0.037 nM 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 14.0 nM 10.1021/jm020814l
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 16.0 nM 10.1021/jm1006148
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 41.0 nM 10.1021/acs.jnatprod.8b00062
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 128.0 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 700.0 nM 10.1021/jm040881a
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Emax 97.0 % 10.1021/jm401602p
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Emax 114.0 % 10.1021/acs.jnatprod.8b00062
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Imax nan None 10.1021/jm401602p
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Kd 0.3 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.077 nM 10.1021/jm020814l
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.15 nM 10.1021/jm1006148
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.3 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.38 nM 10.1021/jm040881a
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.48 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.565 nM 10.1016/j.bmcl.2003.10.071
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.565 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.57 nM 10.1016/j.bmc.2009.05.021
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.57 nM 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.57 nM 10.1021/jm0492406
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.57 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.57 nM 10.1021/jm800323d
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 0.83 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Max 39.0 % 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Stimulation 112.0 % 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Affinity 0.0072 nM 10.1016/j.bmcl.2004.11.073
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 0.2 nM 10.1021/jm0103561
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 0.4 nM 10.1021/jm0103561
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 14.0 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 16.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 17.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Emax 131.0 % 10.1021/jm401602p
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Imax nan None 10.1021/jm401602p
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Kd 0.04 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Kd 0.04 nM 10.1021/jm0492406
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.007943 nM 10.1021/jm020859m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.008 nM 10.1021/jm010936y
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.009 nM 10.1021/jm030432v
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.01 nM 10.1021/jm010550n
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.02 nM 10.1016/j.bmcl.2004.08.026
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.021 nM 10.1021/jm020814l
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.026 nM 10.1016/j.bmc.2007.10.027
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.026 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.026 nM 10.1021/jm040160b
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.03 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.035 nM 10.1016/j.bmc.2010.04.065
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.035 nM 10.1016/j.bmcl.2008.07.016
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.04 nM 10.1016/j.bmcl.2004.08.026
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.04677 nM 10.1021/jm070018l
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.047 nM 10.1016/j.bmcl.2009.01.099
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.047 nM 10.1021/jm070018l
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.047 nM 10.1021/jm900249k
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.05 nM 10.1016/j.bmcl.2011.12.052
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.05 nM 10.1016/j.ejmech.2018.04.026
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.05 nM 10.1016/s0960-894x(02)01031-4
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.06 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.06 nM 10.1021/jm1006148
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.061 nM 10.1016/j.bmc.2009.05.021
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.061 nM 10.1016/j.bmcl.2003.10.071
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.061 nM 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.061 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.061 nM 10.1021/jm0492406
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.061 nM 10.1021/jm800323d
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.063 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.07 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.073 nM 10.1021/jm040881a
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.079 nM 10.1021/jm0103561
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.14 nM 10.1021/jm0103561
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.15 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.18 nM 10.1016/s0960-894x(03)00092-1
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.26 nM 10.1016/j.bmcl.2004.08.026
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 0.9 nM 10.1016/j.bmcl.2004.08.026
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 7.6 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 42.0 nM 10.1021/jm970427p
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Max 58.0 % 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 EC50 17.0 % 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Kd 0.09 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.085 nM 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.15 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.157 nM 10.1016/j.bmcl.2003.10.071
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.157 nM 10.1021/jm025613w
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.16 nM 10.1016/j.bmc.2009.05.021
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.16 nM 10.1016/j.bmcl.2003.09.105
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.16 nM 10.1016/j.bmcl.2005.06.039
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.16 nM 10.1021/jm051196m
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 0.16 nM 10.1021/jm800323d
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Max 71.0 % 10.1016/j.bmcl.2004.02.007
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-2 subunit Ki 0.025 nM 10.1016/j.bmc.2009.05.021
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-2 subunit Ki 0.025 nM 10.1021/jm800323d
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Activity 0.5 uM 10.1021/jm000949w
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit EC50 1300.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Emax 150.0 % 10.1021/jm401602p
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Imax nan None 10.1021/jm401602p
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 2.7 nM 10.1016/j.bmcl.2009.11.023
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 2.7 nM 10.1021/jm900249k
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 4.0 nM 10.1021/jm010936y
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 4.2 nM 10.1021/jm1006148
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 10.2 nM 10.1016/j.bmc.2010.04.065
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 21.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 101.0 nM 10.1021/jm020814l
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 198.0 nM 10.1016/j.bmc.2007.10.027
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 198.0 nM 10.1021/jm0202268
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 198.0 nM 10.1021/jm040160b
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki nan None 10.1016/j.ejmech.2018.04.026
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Rmax 97.0 % 10.1021/jm040219e
Rattus norvegicus Neuronal acetylcholine receptor subunit beta-4 Ki 0.022 nM 10.1021/jm010936y
Rattus norvegicus Rattus norvegicus Activity 0.03 uM 10.1021/jm000949w
Rattus norvegicus Rattus norvegicus Biodistribution 0.2 % 10.1021/jm9910223
Rattus norvegicus Rattus norvegicus EC50 37.0 nM 10.1021/jm970377o
Rattus norvegicus Rattus norvegicus ED50 0.004 mg.kg-1 10.1021/jm0202268
Rattus norvegicus Rattus norvegicus ED50 0.006 mg.kg-1 10.1021/jm0202268
Rattus norvegicus Striatum EC50 0.83 nM 10.1021/jm070018l
Rattus norvegicus Striatum EC50 0.8318 nM 10.1021/jm070018l
Torpedo californica Acetylcholine receptor EC50 200.0 nM 10.1021/jm970377o
Torpedo californica Acetylcholine receptor Ki 2.7 nM 10.1021/jm970377o
Torpedo californica Acetylcholine receptor protein delta chain EC50 200.0 nM 10.1021/jm970377o
Torpedo californica Acetylcholine receptor protein delta chain Ki 0.1 nM 10.1021/jm9805034
None ADMET LD50 0.067 umol.kg-1 10.1021/jm040881a
None ADMET LD50 0.125 umol.kg-1 10.1016/j.bmc.2020.115820
None No relevant target CLogD -1.27 None 10.1021/jm030432v
None No relevant target CLogP 1.26 None 10.1021/jm030432v
None Unchecked Activity 0.0 % 10.1021/jm900153c
None Unchecked Activity 1.0 % 10.1021/jm900153c
None Unchecked Activity 2.0 % 10.1021/jm900153c
None Unchecked Activity 3.4 % 10.1021/jm900153c
None Unchecked Activity 3.7 % 10.1021/jm900153c
None Unchecked Activity 3.9 % 10.1021/jm900153c
None Unchecked Activity 4.7 % 10.1021/jm900153c
None Unchecked Activity 6.9 % 10.1021/jm900153c
None Unchecked Activity 8.1 % 10.1021/jm900153c
None Unchecked Activity 8.7 % 10.1021/jm900153c
None Unchecked Activity 9.5 % 10.1021/jm900153c
None Unchecked Activity 13.0 % 10.1021/jm900153c
None Unchecked Activity 16.0 % 10.1021/jm900153c
None Unchecked Activity 17.0 % 10.1021/jm900153c
None Unchecked Activity 19.0 % 10.1021/jm900153c
None Unchecked Activity 26.0 % 10.1021/jm900153c
None Unchecked Activity 27.0 % 10.1021/jm900153c
None Unchecked Activity 28.0 % 10.1021/jm900153c
None Unchecked Activity 29.0 % 10.1021/jm900153c
None Unchecked Activity 30.0 % 10.1021/jm900153c
None Unchecked Activity 33.0 % 10.1021/jm900153c
None Unchecked Activity 35.0 % 10.1021/jm900153c
None Unchecked Activity 55.0 % 10.1021/jm900153c
None Unchecked Activity 59.0 % 10.1021/jm900153c
None Unchecked Activity 66.0 % 10.1021/jm900153c
None Unchecked Activity 90.0 % 10.1021/jm900153c
None Unchecked Activity 93.0 % 10.1021/jm900153c
None Unchecked Activity 100.0 % 10.1021/jm900153c
None Unchecked Activity 121.0 % 10.1021/jm900153c
None Unchecked Binding selectivity 300.0 None 10.1021/jm970377o
None Unchecked ED50 1600.0 nM 10.1016/j.bmc.2020.115820
None Unchecked Functional selectivity 76.5 None 10.1021/jm970377o
None Unchecked IC50 0.07 nM 10.1016/j.bmc.2020.115820
None Unchecked IC50 0.076 nM 10.1016/j.bmcl.2013.01.025
None Unchecked IC50 0.1 nM 10.1016/j.bmc.2020.115820
None Unchecked IC50 0.24 nM 10.1016/j.bmc.2020.115820
None Unchecked IC50 8800.0 nM 10.1016/j.bmc.2020.115820
None Unchecked Inhibition 12.0 % 10.1016/j.bmcl.2013.01.025
None Unchecked Inhibition 98.0 % 10.1016/j.bmc.2020.115820
None Unchecked Kd 0.02 nM 10.1021/jm0492406
None Unchecked Kd 0.08 nM 10.1021/jm0492406
None Unchecked Kd 0.09 nM 10.1021/jm0492406
None Unchecked Kd 2.9 nM 10.1021/jm900153c
None Unchecked Kd 3.08 nM 10.1016/j.bmcl.2004.12.069
None Unchecked Kd 5.0 nM 10.1021/jm900153c
None Unchecked Kd 7.5 nM 10.1021/jm900153c
None Unchecked Kd 7.6 nM 10.1021/jm900153c
None Unchecked Kd 8.6 nM 10.1021/jm900153c
None Unchecked Kd 9.0 nM 10.1021/jm900153c
None Unchecked Kd 10.0 nM 10.1021/jm900153c
None Unchecked Kd 12.0 nM 10.1021/jm900153c
None Unchecked Kd 16.0 nM 10.1021/jm900153c
None Unchecked Kd 21.0 nM 10.1021/jm900153c
None Unchecked Kd 22.0 nM 10.1021/jm900153c
None Unchecked Kd 24.0 nM 10.1021/jm900153c
None Unchecked Kd 25.0 nM 10.1021/jm900153c
None Unchecked Kd 29.0 nM 10.1021/jm900153c
None Unchecked Kd 57.0 nM 10.1021/jm900153c
None Unchecked Kd 115.0 nM 10.1021/jm900153c
None Unchecked Ki 0.025 nM 10.1021/jm0492406
None Unchecked Ki 0.026 nM 10.1021/jm015561v
None Unchecked Ki 0.026 nM 10.1021/jm0202268
None Unchecked Ki 0.026 nM 10.1021/jm401602p
None Unchecked Ki 0.035 nM 10.1016/j.bmcl.2004.12.069
None Unchecked Ki 0.045 nM 10.1021/jm070224t
None Unchecked Ki 0.045 nM 10.1021/jm800323d
None Unchecked Ki 0.046 nM 10.1016/j.bmcl.2008.10.012
None Unchecked Ki 0.04677 nM 10.1021/jm070755h
None Unchecked Ki 0.05 nM 10.1021/jm070755h
None Unchecked Ki 0.052 nM 10.1016/j.bmcl.2013.01.025
None Unchecked Ki 0.087 nM 10.1016/j.bmcl.2003.09.105
None Unchecked Ki 0.095 nM 10.1021/jm0492406
None Unchecked Ki 0.13 nM 10.1016/j.bmcl.2003.09.105
None Unchecked Ki 0.16 nM 10.1021/jm0492406
None Unchecked Ki 0.8 nM 10.1016/j.bmcl.2011.12.052
None Unchecked Ki 2.5 nM 10.1016/j.bmc.2020.115820
None Unchecked Ki 8.6 nM 10.1073/pnas.0703309104
None Unchecked Ki 10.0 nM 10.1021/jm051196m
None Unchecked Ki 14.0 nM 10.1073/pnas.0703309104
None Unchecked Ki 200.0 nM 10.1016/s0960-894x(02)00936-8
None Unchecked Ki 220.0 nM 10.1021/jm010508s
None Unchecked Kp 75.0 nM 10.1016/s0960-894x(03)00092-1
None Unchecked Ratio 1.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 3.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 5.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 8.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 19.0 None 10.1016/j.bmcl.2003.09.105
None Unchecked Ratio 22.0 None 10.1016/j.bmc.2020.115820
None Unchecked Ratio 62.0 None 10.1021/jm970377o
None Unchecked Ratio 74.0 None 10.1021/jm970377o
None Unchecked Ratio 182.0 None 10.1021/jm020814l
None Unchecked Ratio 243.0 None 10.1021/jm970377o
None Unchecked Ratio EC50 1.7 None 10.1021/acs.jnatprod.8b00062
None Unchecked Ratio IC50 100.0 None 10.1016/j.bmc.2020.115820
None Unchecked Ratio Ki 3.42 None 10.1016/j.bmcl.2006.08.049
None Unchecked Ratio Ki 9.0 None 10.1016/j.bmc.2009.05.021
None Unchecked Ratio Ki 9.0 None 10.1021/acs.jnatprod.8b00062
None Unchecked Ratio Ki 16.0 None 10.1016/j.bmcl.2011.12.052
None Unchecked Ratio Ki 57.0 None 10.1021/jm900249k
None Unchecked Selectivity 3.0 None 10.1021/jm9910627
None Unchecked Selectivity 9.0 None 10.1021/jm0492406
None Unchecked Selectivity 22000.0 None 10.1021/jm010508s

Metabolism Information