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name Structure Reference Source Properties Activities Metabolism

Cotinine; (±)-form

AlkaPlorer ID: AK293130

Synonym: None

IUPAC Name: 1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Structure

SMILES: CN1C(=O)CCC1C1=CC=CN=C1

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InChI: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3

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InChIKey: UIKROCXWUNQSPJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nicotiana tabacum Nicotiana Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 176.21900000000002

TPSA？: 33.2

MolLogP？: 1.3749

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 2A6 IC50 34994516.7 nM 10.1016/j.ejmech.2008.11.010
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 630957.3 nM None
Homo sapiens HERG Potency 3162.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 22.4 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens MAP kinase ERK2 Potency 5.0 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Neuropeptide S receptor Potency 5011.9 nM None
Mus musculus Cytochrome P450 2A5 IC50 1499684.84 nM 10.1016/j.ejmech.2008.11.010
Plasmodium falciparum Plasmodium falciparum Potency 522.1 nM None
Rattus norvegicus Neuronal acetylcholine receptor Kd 620.0 nM 10.1021/jm00147a021
Rattus norvegicus Neuronal acetylcholine receptor Kd 4700000.0 nM 10.1021/jm00147a021
None NON-PROTEIN TARGET Potency 12589.3 nM None
None NON-PROTEIN TARGET Potency 15848.9 nM None
None Unchecked Potency 1995.3 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 35481.3 nM None

Metabolism Information