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

ID: ALA103537

Chembl Id: CHEMBL103537

PubChem CID: 10398005

Max Phase: Preclinical

Molecular Formula: C13H20N2

Molecular Weight: 204.32

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCc1ccc(C2CCCN2C)cn1

Standard InChI:  InChI=1S/C13H20N2/c1-3-5-12-8-7-11(10-14-12)13-6-4-9-15(13)2/h7-8,10,13H,3-6,9H2,1-2H3

Standard InChI Key:  PRZWMEZZLSVZHL-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

Associated Targets(non-human)

Chrnb2 Neuronal nicotinic acetylcholine receptor (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrna4 Neuronal acetylcholine receptor; alpha4/beta2 (3557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 204.32Molecular Weight (Monoisotopic): 204.1626AlogP: 2.80#Rotatable Bonds: 3
Polar Surface Area: 16.13Molecular Species: NEUTRALHBA: 2HBD:
#RO5 Violations: HBA (Lipinski): 2HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 8.49CX LogP: 2.44CX LogD: 1.32
Aromatic Rings: 1Heavy Atoms: 15QED Weighted: 0.75Np Likeness Score: -0.23

References

1. Dukat M, El-Zahabi M, Ferretti G, Damaj MI, Martin BR, Young R, Glennon RA..  (2002)  (-)6-n-Propylnicotine antagonizes the antinociceptive effects of (-)nicotine.,  12  (20): [PMID:12270194] [10.1016/s0960-894x(02)00614-5]
2. Dukat M, El-Zahabi M, Ferretti G, Damaj MI, Martin BR, Young R, Glennon RA..  (2002)  (-)6-n-Propylnicotine antagonizes the antinociceptive effects of (-)nicotine.,  12  (20): [PMID:12270194] [10.1016/s0960-894x(02)00614-5]
3. Ramunno A, Dukat M, Lee M, Young R, El-Zahabi M, Damaj MI, Martin B, Glennon RA..  (2005)  6-(2-Phenylethyl)nicotine: a novel nicotinic cholinergic receptor ligand.,  15  (13): [PMID:15925512] [10.1016/j.bmcl.2005.04.072]

Source