Details of the Drug

General Information of Drug (ID: DMCOAVT)

Drug Name

Emepronium

Synonyms

Emepronium Bromide; Restenacht; Cetiprin; Emeprone bromide; Emepron bromide; 3614-30-0; Emeproniumbromid [German]; Emepronium bromide [INN:BAN]; Emepronii bromidum [INN-Latin]; Bromure d'emepronium [INN-French]; Bromuro de emepronio [INN-Spanish]; EINECS 222-786-6; Ethyldimethyl(1-methyl-3,3-diphenylpropyl)ammonium bromide; Dimethylethyl(beta-benzhydrylisopropyl)ammonium bromide; C20H28N; Ammonium, ethyldimethyl(1-methyl-3,3-diphenylpropyl)-, bromide; Emeproniumbromid; Emepronii bromidum; Bromure d'emepronium; Bromuro de emep

Indication

Disease Entry	ICD 11	Status	REF
Urinary incontinence	MF50.2	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

282.4

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]

Chemical Identifiers

Formula: C20H28N+
IUPAC Name: 4,4-diphenylbutan-2-yl-ethyl-dimethylazanium
Canonical SMILES: CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C2=CC=CC=C2
InChI: InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1
InChIKey: JEJBJBKVPOWOQK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 34055
ChEBI ID: CHEBI:135169
CAS Number: 27892-33-7
DrugBank ID: DB13505
TTD ID: D0W2AN

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]

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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	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3	Classification of the presynaptic muscarinic receptor subtype that regulates 3H-acetylcholine secretion in the guinea pig urinary bladder in vitro. J Pharmacol Exp Ther. 1995 Jul;274(1):458-68.