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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 of VEDACLIDINE

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

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.

Approval Year

PubMed

PubMed

TitleDatePubMed

Sample Use Guides

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
  • Download
Name Type Language
VEDACLIDINE
INN   WHO-DD  
INN  
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
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
NCI_THESAURUS C47796
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
Code System Code Type Description
FDA UNII
98IW5HAV1N
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
SMS_ID
100000079076
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
ChEMBL
CHEMBL136807
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
WIKIPEDIA
Vedaclidine
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID30275663
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
INN
7543
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
CAS
141575-50-0
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
EVMPD
SUB00030MIG
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
NCI_THESAURUS
C66651
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
PUBCHEM
9889093
Created by admin on Fri Dec 15 15:48:34 GMT 2023 , Edited by admin on Fri Dec 15 15:48:34 GMT 2023
PRIMARY
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TARGET -> AGONIST
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
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TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY