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name Structure Reference Source Properties Activities Metabolism

3-(2-Pyrrolidinyl)pyridine; (ξ)-form

AlkaPlorer ID: AK312045

Synonym: None

IUPAC Name: 3-pyrrolidin-2-ylpyridine

Structure

SMILES: C1=CN=CC(C2CCCN2)=C1

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InChI: InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2

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InChIKey: MYKUKUCHPMASKF-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Duboisia hopwoodii Duboisia Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 148.209

TPSA？: 24.92

MolLogP？: 1.5061

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 21.79 % 10.6019/CHEMBL4513141
Candida albicans Candida albicans Inhibition 3.55 % 10.6019/CHEMBL4513141
Cryptococcus neoformans Cryptococcus neoformans Inhibition -7.65 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Inhibition -3.23 % 10.6019/CHEMBL4513141
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 12589.3 nM None
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 29.0 nM 10.1021/jm990093z
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 Ki 730.0 nM 10.1021/jm990093z
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 138000.0 nM 10.1016/j.bmcl.2004.12.069
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 9.44 % 10.6019/CHEMBL4513141
Musca domestica Acetylcholinesterase IC50 9700000.0 nM 10.1584/jpestics.17.4_231
Musca domestica Musca domestica FC 0.3 None 10.1584/jpestics.17.4_231
Musca domestica Nicotinic acetylcholine receptor alpha 5 subunit Ki 8770.0 nM 10.1584/jpestics.17.4_231
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 11.27 % 10.6019/CHEMBL4513141
Rattus norvegicus Neuronal acetylcholine receptor IC50 80.0 nM 10.1021/jm00398a004
Rattus norvegicus Neuronal acetylcholine receptor IC50 100.0 nM 10.1021/jm00398a004
Rattus norvegicus Neuronal acetylcholine receptor Relative potency 0.1 None 10.1021/jm00398a004
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 614000.0 nM 10.1016/j.bmc.2020.115820
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 375000.0 nM 10.1016/j.bmc.2020.115820
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 30.0 nM 10.1016/j.bmcl.2005.06.053
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 30.0 nM 10.1016/s0960-894x(02)01031-4
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit EC50 17400.0 nM 10.1016/j.bmc.2020.115820
Rattus norvegicus Rattus norvegicus ED50 75.0 nM 10.1021/jm00398a004
Rattus norvegicus Rattus norvegicus Relative potency 0.133 None 10.1021/jm00398a004
Staphylococcus aureus Staphylococcus aureus Inhibition 12.8 % 10.6019/CHEMBL4513141
Torpedo californica Acetylcholine receptor IC50 100.0 nM 10.1021/jm00398a004
Torpedo californica Acetylcholine receptor IC50 300.0 nM 10.1021/jm00398a004
Torpedo californica Acetylcholine receptor Relative potency 0.0003 None 10.1021/jm00398a004
Torpedo californica Acetylcholine receptor Relative potency 0.01 None 10.1021/jm00398a004
Torpedo californica Acetylcholine receptor protein delta chain Relative potency 0.062 None 10.1021/jm00398a004
None No relevant target pKa 8.76 None 10.1584/jpestics.17.4_231
None No relevant target pKa 9.0 None 10.1584/jpestics.17.4_231
None Unchecked Kd 3.08 nM 10.1016/j.bmcl.2004.12.069
None Unchecked Ki 14.0 nM 10.1016/j.bmcl.2004.12.069
None Unchecked Ki 7610.0 nM 10.1584/jpestics.17.4_231

Metabolism Information