Details of the Drug

General Information of Drug (ID: DMS1GYT)

Drug Name

Mirabegron

Synonyms

Myrbetriq (TN)

Indication

Disease Entry	ICD 11	Status	REF
Overactive bladder	GC50.0	Approved	[1]

Affected Organisms

Humans and other mammals

ATC Code

G04BD12: Mirabegron

G04BD: Drugs for urinary frequency and incontinence

G04B: UROLOGICALS

G04: UROLOGICALS

G: GENITO URINARY SYSTEM AND SEX HORMONES

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

396.5

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption Tmax: The time to maximum plasma concentration (Tmax) is 3.5 h [2]
Bioavailability: The bioavailability of drug is 29% [2]
Clearance: The renal clearance of drug is 13 L/h [2]
Elimination: Of a 160mg radiolabeled dose administered to healthy volunteers, approximately 55% of the radioactivity was recovered in the urine and 34% in the feces [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 26 - 31 hours [2]
Unbound Fraction: The unbound fraction of drug in plasma is 0.29% [3]
Vd: The volume of distribution (Vd) of drug is 1670 L [2]

Chemical Identifiers

Formula: C21H24N4O2S
IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
Canonical SMILES: C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
InChI: InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
InChIKey: PBAPPPCECJKMCM-IBGZPJMESA-N

Cross-matching ID

PubChem CID: 9865528
ChEBI ID: CHEMBL2095212
CAS Number: 223673-61-8
UNII: MVR3JL3B2V
DrugBank ID: DB08893
TTD ID: D0X5UN
VARIDT ID: DR00699
INTEDE ID: DR1097
ACDINA ID: D01254

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug ADMET Endpoint Profile (DAE)^NEW

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Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Modulator	[4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[5]
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[5]

Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Overactive bladder

ICD Disease Classification

GC50.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	5.64E-01	2.36E-02	1.75E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	6.06E-01	-2.42E-02	-1.64E-01

Molecular Expression Atlas (MEA)

MEA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Mirabegron (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Ivosidenib	DM8S6T7	Minor	Increased metabolism of Mirabegron caused by Ivosidenib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[6]
Arn-509	DMT81LZ	Minor	Increased metabolism of Mirabegron caused by Arn-509 mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[6]
Oliceridine	DM6MDCF	Major	Decreased metabolism of Mirabegron caused by Oliceridine mediated inhibition of CYP450 enzyme.	Acute pain [MG31]	[7]
Erdafitinib	DMI782S	Moderate	Decreased clearance of Mirabegron due to the transporter inhibition by Erdafitinib.	Bladder cancer [2C94]	[8]
Pexidartinib	DMS2J0Z	Minor	Increased metabolism of Mirabegron caused by Pexidartinib mediated induction of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[6]
Talazoparib	DM1KS78	Moderate	Decreased clearance of Mirabegron due to the transporter inhibition by Talazoparib.	Breast cancer [2C60-2C6Y]	[9]
Tucatinib	DMBESUA	Minor	Decreased metabolism of Mirabegron caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[6]
Palbociclib	DMD7L94	Minor	Decreased metabolism of Mirabegron caused by Palbociclib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[6]
PF-04449913	DMSB068	Moderate	Decreased clearance of Mirabegron due to the transporter inhibition by PF-04449913.	Chronic myelomonocytic leukaemia [2A40]	[10]
Osilodrostat	DMIJC9X	Minor	Decreased metabolism of Mirabegron caused by Osilodrostat mediated inhibition of CYP450 enzyme.	Cushing syndrome [5A70]	[6]
MK-8228	DMOB58Q	Minor	Decreased metabolism of Mirabegron caused by MK-8228 mediated inhibition of CYP450 enzyme.	Cytomegaloviral disease [1D82]	[6]
OPC-34712	DMHG57U	Major	Decreased metabolism of Mirabegron caused by OPC-34712 mediated inhibition of CYP450 enzyme.	Depression [6A70-6A7Z]	[11]
Stiripentol	DMMSDOY	Minor	Decreased metabolism of Mirabegron caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[6]
Tazemetostat	DMWP1BH	Minor	Increased metabolism of Mirabegron caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[6]
Cobicistat	DM6L4H2	Minor	Decreased metabolism of Mirabegron caused by Cobicistat mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[6]
Berotralstat	DMWA2DZ	Major	Decreased clearance of Mirabegron due to the transporter inhibition by Berotralstat.	Innate/adaptive immunodeficiency [4A00]	[12]
Suvorexant	DM0E6S3	Minor	Decreased metabolism of Mirabegron caused by Suvorexant mediated inhibition of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[6]
Glycerol phenylbutyrate	DMDGRQO	Moderate	Decreased metabolism of Mirabegron caused by Glycerol phenylbutyrate mediated inhibition of CYP450 enzyme.	Liver disease [DB90-DB9Z]	[10]
Ceritinib	DMB920Z	Minor	Decreased metabolism of Mirabegron caused by Ceritinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[6]
PF-06463922	DMKM7EW	Minor	Increased metabolism of Mirabegron caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[6]
Selpercatinib	DMZR15V	Minor	Decreased metabolism of Mirabegron caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[6]
Idelalisib	DM602WT	Minor	Decreased metabolism of Mirabegron caused by Idelalisib mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[6]
GDC-0199	DMH0QKA	Major	Decreased clearance of Mirabegron due to the transporter inhibition by GDC-0199.	Mature B-cell leukaemia [2A82]	[13]
IPI-145	DMWA24P	Minor	Decreased metabolism of Mirabegron caused by IPI-145 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[6]
Arry-162	DM1P6FR	Moderate	Decreased clearance of Mirabegron due to the transporter inhibition by Arry-162.	Melanoma [2C30]	[13]
Dabrafenib	DMX6OE3	Minor	Increased metabolism of Mirabegron caused by Dabrafenib mediated induction of CYP450 enzyme.	Melanoma [2C30]	[6]
Lasmiditan	DMXLVDT	Moderate	Decreased clearance of Mirabegron due to the transporter inhibition by Lasmiditan.	Migraine [8A80]	[14]
Fedratinib	DM4ZBK6	Minor	Decreased metabolism of Mirabegron caused by Fedratinib mediated inhibition of CYP450 enzyme.	Myeloproliferative neoplasm [2A20]	[6]
Netupitant	DMEKAYI	Minor	Decreased metabolism of Mirabegron caused by Netupitant mediated inhibition of CYP450 enzyme.	Nausea/vomiting [MD90]	[6]
Entrectinib	DMMPTLH	Minor	Decreased metabolism of Mirabegron caused by Entrectinib mediated inhibition of CYP450 enzyme.	Non-small cell lung cancer [2C25]	[6]
Rucaparib	DM9PVX8	Minor	Decreased metabolism of Mirabegron caused by Rucaparib mediated inhibition of CYP450 enzyme.	Ovarian cancer [2C73]	[6]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Mirabegron caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[15]
Lefamulin	DME6G97	Moderate	Decreased metabolism of Mirabegron caused by Lefamulin mediated inhibition of CYP450 enzyme.	Pneumonia [CA40]	[6]
Enzalutamide	DMGL19D	Minor	Increased metabolism of Mirabegron caused by Enzalutamide mediated induction of CYP450 enzyme.	Prostate cancer [2C82]	[6]
Voxelotor	DMCS6M5	Minor	Decreased metabolism of Mirabegron caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[6]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Mirabegron caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[10]
Larotrectinib	DM26CQR	Minor	Decreased metabolism of Mirabegron caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[6]
LEE011	DMMX75K	Minor	Decreased metabolism of Mirabegron caused by LEE011 mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[6]
Fostamatinib	DM6AUHV	Moderate	Decreased metabolism of Mirabegron caused by Fostamatinib mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[16]
Lusutrombopag	DMH6IKO	Moderate	Decreased clearance of Mirabegron due to the transporter inhibition by Lusutrombopag.	Thrombocytopenia [3B64]	[17]
Elagolix	DMB2C0E	Minor	Increased metabolism of Mirabegron caused by Elagolix mediated induction of CYP450 enzyme.	Uterine fibroid [2E86]	[6]


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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Acesulfame	E00341	36573	Flavoring agent
Butylated hydroxytoluene	E00336	31404	Antioxidant
Hydrochloric acid	E00015	313	Acidulant
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
methylparaben	E00149	7456	Antimicrobial preservative
Ethylparaben	E00177	8434	Antimicrobial preservative
Simethicone	E00575	6433516	Antifoaming agent; Diluent; Water-repelling agent
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Hydroxypropyl cellulose	E00632	Not Available	Binding agent; Coating agent; Emulsifying agent; Film/Membrane-forming agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
Hypromellose	E00634	Not Available	Coating agent
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 4000	E00654	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Haematite red	E00236	14833	Colorant
Xanthan gum	E00694	Not Available	Bioadhesive material; Emulsifying agent; Gelling agent; Modified-release agent; Suspending agent; Viscosity-controlling agent


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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Mirabegron 8mg/ml extended release for suspension	8mg/ml	Extended Release For Suspension	Oral
Mirabegron 25mg extended release tablet	25mg	Extended Release Tablet	Oral
Mirabegron 50mg extended release tablet	50mg	Extended Release Tablet	Oral

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7445).
2	FDA Approved Drug Products: Myrbetriq (mirabegron) extended-release tablets/granules for oral use
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
5	Role of cytochrome p450 isoenzymes 3A and 2D6 in the in vivo metabolism of mirabegron, a beta-3-adrenoceptor agonist. Clin Drug Investig. 2013 Jun;33(6):429-40.
6	Product Information. Myrbetriq (mirabegron). Astellas Pharma US, Inc, Deerfield, IL.
7	Product Information. Olinvyk (oliceridine). Trevena Inc, Chesterbrook, PA.
8	Product Information. Balversa (erdafitinib). Janssen Products, LP, Horsham, PA.
9	Product Information. Talzenna (talazoparib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
10	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
11	Product Information. Rexulti (brexpiprazole). Otsuka American Pharmaceuticals Inc, Rockville, MD.
12	Product Information. Orladeyo (berotralstat). BioCryst Pharmaceuticals Inc, Durham, NC.
13	Cerner Multum, Inc. "Australian Product Information.".
14	Product Information. Reyvow (lasmiditan). Lilly, Eli and Company, Indianapolis, IN.
15	Product Information. Xeglyze (abametapir topical). Dr. Reddy's Laboratories Inc, Upper Saddle River, NJ.
16	Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.
17	EMA. European Medicines Agency. European Union "EMA - List of medicines under additional monitoring.".