VEDACLIDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H21N3S2
Molecular Weight	283.456
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCSC1=NSN=C1[C@@H]2CN3CCC2CC3

InChI

InChIKey=WZZPXVURFDJHGI-LLVKDONJSA-N

InChI=1S/C13H21N3S2/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H21N3S2
Molecular Weight	283.456
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9152398 | https://adisinsight.springer.com/drugs/800005859 | https://www.ncbi.nlm.nih.gov/pubmed/9121363

Vedaclidine [LY 297802, NNC 101053, NNC 111053, butylthio[2.2.2]], a quinuclidine, is a muscarinic receptor agonist being developed by Novo Nordisk and Eli Lilly as an analgesic drug. Vedaclidine is a muscarinic receptor ligand which is equiefficacious to morphine in producing antinociception. In vitro, Vedaclidine had high affinity for muscarinic receptors in brain homogenates, but had substantially less or no affinity for several other neurotransmiter receptors and uptake sites. Its pharmacological profile suggests that it may have clinical utility in the management of pain as an alternative to opioids.

CNS Activity

Originator

Approval Year

PubMed

Title	Date	PubMed
Muscarinic acetylcholine receptors: new potential therapeutic targets in antinociception and in cancer therapy.	2008 Jun	18537768

Sample Use Guides

In Vivo Use Guide

Healthy volunteers: 0.1, 0.3, 0.56 and 1 mg

Route of Administration: Oral

In Vitro Use Guide

In isolated tissues, Vedaclidine was an agonist with high affinity for M1 receptors in the rabbit vas deferens (IC50 = 0.33 nM), but it was an antagonist at M2 receptors in guinea pig atria (pA2 = 6.9) and at M3 receptors in guinea pig urinary bladder (pA2 = 7.4) and a weak partial agonist in guinea pig ileum, which contains a heterogeneous population of muscarinic receptors.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:34 GMT 2023` Edited by `admin` on `Fri Dec 15 15:48:34 GMT 2023`
Record UNII	98IW5HAV1N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VEDACLIDINE

Official Name

English

LY297802

Code

English

LY-297,802

Code

English

Vedaclidine [WHO-DD]

Common Name

English

NNC 11-1053

Code

English

LY-297802

Code

English

(S)-3-(4-(BUTYLTHIO)-1,2,5-THIADIAZOL-3-YL)QUINUCLIDINE

Systematic Name

English

vedaclidine [INN]

Common Name

English

NNC-11-1053

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C241