Compound Detail
CHEMBL2107826
VIBEGRON 💊 Approved Drug
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💊 Approved Drug
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21
Basic Information
| ChEMBL ID | CHEMBL2107826 |
| Name | VIBEGRON |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DJXRIQMCROIRCZ-XOEOCAAJSA-N |
| Therapeutic | ✓ Yes |
4
Targets
7
Activities
1
Assay Types
24
PK Parameters
20
Publications
5
Known Names
6
Indications
1
Mechanisms
Molecular Properties
444.5
MW (Da)
2.77
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Beta-3 adrenergic receptor agonist | AGONIST | Beta-3 adrenergic receptor | ✓ | ✓ |
Indications
Polyuria Urinary Bladder, Overactive Urinary Incontinence Urinary Incontinence, Urge Irritable Bowel Syndrome Hypertension
ATC Classification
G04BD15
vibegron
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: UROLOGICALS
Activity Summary
EC50 7 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL3124732 | EC50 | 9.24 | 8.695 | 0.6 | 2 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.96 | 8.88 | 1.1 | 2 |
| Beta-3 adrenergic receptor CHEMBL4400 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL4031 | EC50 | 7.07 | 6.99 | 86.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 15.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 16.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 67.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 37.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 33.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 10.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 13.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 18.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 20.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 34.0 | mL.min-1.kg-1 | Macaca fascicularis |
| F | 20.0 | % | Rattus norvegicus |
| F | 44.0 | % | Canis lupus familiaris |
| F | 23.0 | % | Macaca mulatta |
| F | 46.0 | % | Macaca fascicularis |
| Fu | 0.21 | - | Rattus norvegicus |
| Fu | 0.41 | - | Canis lupus familiaris |
| Fu | 0.49 | - | Macaca mulatta |
| Fu | 0.58 | - | Macaca fascicularis |
| T1/2 | 7.0 | hr | Rattus norvegicus |
| T1/2 | 13.0 | hr | Canis lupus familiaris |
| T1/2 | 14.0 | hr | Macaca mulatta |
| T1/2 | 7.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine