Details of the Drug

General Information of Drug (ID: DMMSK9W)

Drug Name

5-(1-Methyl-pyrrolidin-2-yl)-2-phenethyl-pyridine

Synonyms

CHEMBL190295; 5-(1-Methyl-pyrrolidin-2-yl)-2-phenethyl-pyridine; SCHEMBL11307517; (+/-)6-(2-Phenylethyl)nicotine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

266.4

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H22N2
IUPAC Name: 5-(1-methylpyrrolidin-2-yl)-2-(2-phenylethyl)pyridine
Canonical SMILES: CN1CCCC1C2=CN=C(C=C2)CCC3=CC=CC=C3
InChI: InChI=1S/C18H22N2/c1-20-13-5-8-18(20)16-10-12-17(19-14-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,10,12,14,18H,5,8-9,11,13H2,1H3
InChIKey: YJFYNYHEHYBROJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-2 (CHRNA2)	TTF4E0J	ACHA2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	6-(2-Phenylethyl)nicotine: a novel nicotinic cholinergic receptor ligand. Bioorg Med Chem Lett. 2005 Jul 1;15(13):3237-40.