Details of the Drug

General Information of Drug (ID: DMMZB0K)

Drug Name

Prifinium

Synonyms

Prifinium; 10236-81-4; 3-(Benzhydrylidene)-1,1-diethyl-2-methylpyrrolidinium; Prifinum; NCGC00183859-01; EINECS 233-568-5; AC1Q1ITK; AC1L1J7T; SCHEMBL14672576; 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium; CHEMBL1229214; CTK4A0968; 3-Diphenylmethylene-1,1-diethyl-2-methylpyrrolidinium

Indication

Disease Entry	ICD 11	Status	REF
Irritable bowel syndrome	DD91.0	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

306.5

Topological Polar Surface Area (xlogp)

5.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Clearance: The drug present in the plasma can be removed from the body at the rate of 12.5 mL/min/kg [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 2.13 hours [2]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.87 L/kg [2]

Chemical Identifiers

Formula: C22H28N+
IUPAC Name: 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium
Canonical SMILES: CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC
InChI: InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1
InChIKey: ZYEPZINLLPPBMI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4905
CAS Number: 10236-81-4
DrugBank ID: DB13254
TTD ID: D0E8LT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Modulator	[3], [1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Ligand binding properties of muscarinic acetylcholine receptor subtypes (m1-m5) expressed in baculovirus-infected insect cells. J Pharmacol Exp Ther. 1995 Jul;274(1):378-84.
4	Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12.
5	Design, synthesis, and neurochemical evaluation of 5-(3-alkyl-1,2,4- oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidines as M1 muscarinic receptor agonists. J Med Chem. 1993 Apr 2;36(7):842-7.
6	Retinoic acid prevents virus-induced airway hyperreactivity and M2 receptor dysfunction via anti-inflammatory and antiviral effects. Am J Physiol Lung Cell Mol Physiol. 2009 Aug;297(2):L340-6.
7	Medicinal plants in therapy. Bull World Health Organ. 1985;63(6):965-81.
8	Additive protective effects of donepezil and nicotine against salsolinol-induced cytotoxicity in SH-SY5Y cells. Neurotox Res. 2009 Oct;16(3):194-204.
9	Affinity profiles of various muscarinic antagonists for cloned human muscarinic acetylcholine receptor (mAChR) subtypes and mAChRs in rat heart and submandibular gland. Life Sci. 1999;64(25):2351-8.
10	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7354).
11	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
12	Comparison of pharmacological effects of L- and DL-n-butyl-scopolamine in rat uterus. Yao Xue Xue Bao. 1994;29(1):24-7.
13	Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.