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Compound Detail

CHEMBL2095212

MIRABEGRON
💊 Approved Drug
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💊 Approved Drug
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2095212
Name MIRABEGRON
Phase Approved
Structure Type MOL
InChI Key PBAPPPCECJKMCM-IBGZPJMESA-N
Therapeutic ✓ Yes

Known Names

Betanis Betmiga Mirabegron Myrbetriq Myrbetriq granules YM-178 YM178
1
Targets
1
Activities
1
Assay Types
12
PK Parameters
20
Publications
7
Known Names
16
Indications
1
Mechanisms

Molecular Properties

396.5
MW (Da)
2.77
ALogP
6
HBA
4
HBD
100.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2012
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product First in Class
USAN Stem -begron
USAN Year 2009

Extended Properties

Molecular Formula C21H24N4O2S
MW 396.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.43

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 Cystitis, Interstitial Kidney Calculi Cerebral Hemorrhage Heart Failure Hypertrophy, Left Ventricular Pain Prediabetic State Urinary Bladder, Neurogenic Kidney Diseases Liver Diseases Polycystic Ovary Syndrome Esophageal Achalasia

ATC Classification

G04BD12
mirabegron
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: UROLOGICALS

Activity Summary

EC50 1 meas. best 7.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-3 adrenergic receptor
CHEMBL246
 EC50 7.65 7.65 22.4 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2285.0 ng.hr.mL-1 Homo sapiens
CLr 17.7 L/hr Homo sapiens
Cmax 935.64 nM Homo sapiens
F 23.0 % Rattus norvegicus
F 48.4 % Rattus norvegicus
F 75.7 % Rattus norvegicus
F 41.8 % Canis lupus familiaris
F 64.6 % Canis lupus familiaris
F 77.1 % Canis lupus familiaris
T1/2 47.9 hr Homo sapiens
T1/2 72.9 hr Homo sapiens
Tmax 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-3 adrenergic receptor EC50 = 22.4 nM 7.65 Agonist activity at human beta-3 adrenoceptor expressed in CHO cells assessed as... 36758304

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5724801 HEK-293T 304
22269146 10.1124/dmd.111.043588 Plasma 11
26125514 10.1021/acs.jmedchem.5b00638 Rattus norvegicus 10
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
- 10.6019/CHEMBL5058564 Fibroblast 5
28355078 10.1021/acs.jmedchem.6b01197 Rattus norvegicus 4
26709102 10.1021/acs.jmedchem.5b01372 Rattus norvegicus 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
22269146 10.1124/dmd.111.043588 Canis familiaris 3
22269146 10.1124/dmd.111.043588 Rattus norvegicus 3
- 10.6019/CHEMBL5058564 U2OS 3
22269146 10.1124/dmd.111.043588 ADMET 3
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL5058564 HEK-293T 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine