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name Structure Reference Source Properties Activities Metabolism

rivanicline

AlkaPlorer ID: AK426936

Synonym: None

IUPAC Name: (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

Structure

SMILES: CNCC/C=C/C1=CC=CN=C1

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InChI: InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+

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InChIKey: JUOSGGQXEBBCJB-GORDUTHDSA-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: 162.236

TPSA？: 24.92

MolLogP？: 1.7043

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Histone deacetylase 6 Inhibition -3.38 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.95 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 15848.9 nM None
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 EC50 46000.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor; alpha3/beta4 Ki 5400.0 nM 10.1021/jm3011299
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 EC50 4300.0 nM 10.1021/jm970377o
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 25.0 nM 10.1016/j.bmcl.2003.10.033
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki 26.0 nM 10.1021/jm3011299
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki 8000.0 nM 10.1021/jm3011299
Rattus norvegicus Neuronal acetylcholine receptor EC50 1000000.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 EC50 730.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 26.0 nM 10.1016/j.bmcl.2007.10.101
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 26.0 nM 10.1021/jm970377o
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Ki 36000.0 nM 10.1021/jm970377o
Rattus norvegicus Rattus norvegicus EC50 940.0 nM 10.1021/jm970377o
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -60.46 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.16 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.03 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.21 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 15.87 % 10.21203/rs.3.rs-23951/v1
Torpedo californica Acetylcholine receptor protein delta chain EC50 1000000.0 nM 10.1021/jm970377o

Metabolism Information