Details of the Drug

General Information of Drug (ID: DM7OSHC)

Drug Name

Pinaverium bromide

Synonyms

Dicetel; Bromure de pinaverium; Bromuro de pinaverio; Pinaverii bromidum; Pinaverium bromide [INN]; LAT 1717; Bromure de pinaverium [INN-French]; Bromuro de pinaverio [INN-Spanish]; Dicetel (TN); Pinaverii bromidum [INN-Latin]; Pinaverium bromide (INN); Morpholinium, 4-(2-bromo-4,5-dimethoxy)benzyl-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide; 4-(6-Bromoveratryl)-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)morpholinium bromide; 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide

Indication

Disease Entry	ICD 11	Status	REF
Irritable bowel syndrome	DD91.0	Phase 3	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

591.4

Topological Polar Surface Area

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C26H41Br2NO4
IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium;bromide
Canonical SMILES: CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]
InChI: InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1
InChIKey: IKGXLCMLVINENI-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 40703
CAS Number: 53251-94-8
TTD ID: D0J1NQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated L-type calcium channel (L-CaC)	TTXHYV6	NOUNIPROTAC	Blocker	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
3	Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
4	Recent updates of N-type calcium channel blockers with therapeutic potential for neuropathic pain and stroke. Curr Top Med Chem. 2009;9(4):377-95.
5	Effects of (S)-amlodipine and (R)-amlodipine on L-type calcium channel current of rat ventricular myocytes and cytosolic calcium of aortic smooth muscle cells. Pharmazie. 2008 Jun;63(6):470-4.
6	N- and L-type calcium channel antagonist improves glomerular dynamics, reverses severe nephrosclerosis, and inhibits apoptosis and proliferation in an l-NAME/SHR model. J Hypertens. 2002 May;20(5):993-1000.
7	Efficacy of MEM 1003, a novel calcium channel blocker, in delay and trace eyeblink conditioning in older rabbits. Neurobiol Aging. 2007 May;28(5):766-73.
8	Role of apoptosis in the kidney after reperfusion. Orv Hetil. 2008 Feb 17;149(7):305-15.
9	Hemodynamic effects of a calcium channel promoter, BAY y 5959, are preserved after chronic administration in ischemic heart failure in conscious dogs. J Pharmacol Exp Ther. 1998 Aug;286(2):760-6.
10	Q-type Ca2+ channels are located closer to secretory sites than L-type channels: functional evidence in chromaffin cells. Pflugers Arch. 1998 Mar;435(4):472-8.