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
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 0
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]
Molecular Interaction Atlas (MIA) 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.