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Laudanosine; (S)-form 

AlkaPlorer ID: AK304065

Synonym: None

IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Structure

SMILES: COC1=CC=C(CC2C3=CC(OC)=C(OC)C=C3CCN2C)C=C1OC

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InChI: InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3

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InChIKey: KGPAYJZAMGEDIQ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Papaver somniferum Papaver Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 357.45000000000016

TPSA？: 40.16

MolLogP？: 3.492700000000003

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli K-12 Beta-lactamase AmpC Potency 5011.9 nM None
Homo sapiens Acetylcholinesterase Inhibition 9.2 % 10.1016/j.bmcl.2006.01.067
Homo sapiens Acetylcholinesterase Inhibition 46.6 % 10.1016/j.bmcl.2006.01.067
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens DNA polymerase iota Potency 100000.0 nM None
Homo sapiens ECa-109 cell line Activity 90.7 % 10.1021/acs.jmedchem.2c02061
Homo sapiens ECa-109 cell line FC 12.9 None 10.1021/acs.jmedchem.2c02061
Homo sapiens ECa-109 cell line IC50 528.9 nM 10.1021/acs.jmedchem.2c02061
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 35481.3 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 891.3 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens MAP kinase ERK2 Potency 10000.0 nM None
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit EC50 100000.0 nM 10.1021/acs.jmedchem.7b01895
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit IC50 100000.0 nM 10.1021/acs.jmedchem.7b01895
Homo sapiens Prelamin-A/C Potency 17.8 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 107.45 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 114.67 % 10.1124/mol.112.084152
Homo sapiens Sphingomyelin phosphodiesterase Potency 19952.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 nM None
Homo sapiens U-937 FC 0.0 None 10.1016/j.bmc.2012.06.017
Homo sapiens U-937 MED 50.0 uM 10.1016/j.bmc.2012.06.017
Mus musculus Mus musculus Activity nan None 10.1021/jm00217a005
Mus musculus Nicotinic acetylcholine receptor alpha-4/beta-2 IC50 100000.0 nM 10.1021/acs.jmedchem.7b01895
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 IC50 100000.0 nM 10.1021/acs.jmedchem.7b01895
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Ki 100000.0 nM 10.1021/acs.jmedchem.7b01895
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 100000.0 nM 10.1021/acs.jmedchem.7b01895
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Ki 100000.0 nM 10.1021/acs.jmedchem.7b01895
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
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/np990639k
None Unchecked Ki 30000.0 nM 10.1016/j.bmcl.2008.03.069
None Unchecked Potency 15848.9 nM None

Metabolism Information