vibegron   Click here for help

GtoPdb Ligand ID: 10100

Synonyms: compound 7 [PMID: 26709102] | KRP-114V [1] | MK-4618 | MK4618
Compound class: Synthetic organic
Comment: Vibegron (MK-4618) is a potent and selective β3 adrenoceptor agonist that was developed by Merck as a potential pharmacological modulator for managing overactive bladder [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 96.25
Molecular weight 444.22
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C1CCc2n1c(=O)ccn2)Nc1ccc(cc1)CC1CCC(N1)C(c1ccccc1)O
Isomeric SMILES O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O
InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
InChI Key DJXRIQMCROIRCZ-XOEOCAAJSA-N
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Summary of Clinical Use Click here for help
The efficacy of vibegron (MK-4618) in humans will be evaluated in Phase 3 clinical trials in patients with overactive bladder (see NCT03583372 and NCT03492281). In both of these studies vibegron will be directly compared to tolterodine tartrate which is a non-selective murcarinic receptor antagonist that is used to manage urinary incontinence.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
In vivo (in monkeys), vibegron increases bladder capacity, decreases micturition pressure, and increases bladder compliance [1]
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03492281 A Study to Examine the Safety and Efficacy of a New Drug in Patients With Symptoms of Overactive Bladder (OAB) Phase 3 Interventional Urovant Sciences GmbH
NCT03583372 An Extension Study to Examine the Safety and Tolerability of a New Drug in Patients With Symptoms of Overactive Bladder (OAB). Phase 3 Interventional Urovant Sciences GmbH