Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H24N4O2S |
Molecular Weight | 396.506 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1
InChI
InChIKey=PBAPPPCECJKMCM-IBGZPJMESA-N
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
Molecular Formula | C21H24N4O2S |
Molecular Weight | 396.506 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:12:55 UTC 2023
by
admin
on
Fri Dec 15 16:12:55 UTC 2023
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Record UNII |
MVR3JL3B2V
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C48149
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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LIVERTOX |
NBK547887
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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NDF-RT |
N0000185008
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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WHO-VATC |
QG04BD12
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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WHO-ATC |
G04BD12
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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EMA ASSESSMENT REPORTS |
BETMIGA (AUTHORIZED: URINARY BLADDER, OVERACTIVE)
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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Code System | Code | Type | Description | ||
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DB08893
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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8907
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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9865528
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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Mirabegron
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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Mirabegron
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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CHEMBL2095212
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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100000126336
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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N0000185007
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | Adrenergic beta3-Agonists [MoA] | ||
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m11690
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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MVR3JL3B2V
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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BETANIS
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | APPROVED JUNE 2011 | ||
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223673-61-8
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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WW-31
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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MVR3JL3B2V
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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7445
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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N0000182137
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | Cytochrome P450 2D6 Inhibitors [MoA] | ||
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SUB32690
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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65349
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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C90633
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | |||
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1300786
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY | RxNorm | ||
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4382
Created by
admin on Fri Dec 15 16:12:55 UTC 2023 , Edited by admin on Fri Dec 15 16:12:55 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> AGONIST |
SHORT-ACTING
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Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE -> PARENT |
CYP
3A4 is the primary responsible isoenzyme for in vitro hepatic oxidative
metabolism of mirabegron, with a minor role of CYP2D6
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METABOLITE -> PARENT |
PLASMA; URINE
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METABOLITE -> PARENT |
PLASMA; URINE
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METABOLITE -> PARENT |
URINE
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METABOLITE -> PARENT |
In vitro studies suggest a role for CYP2D6 and CYP3A4 in the oxidative metabolism of mirabegron
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METABOLITE -> PARENT |
PLASMA; URINE
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METABOLITE INACTIVE -> PARENT | |||
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METABOLITE -> PARENT |
PLASMA; URINE
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METABOLITE INACTIVE -> PARENT |
In vitro and ex vivo studies have shown the involvement of uridine diphospho-glucuronosyltransferases (UGT)
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
URINE
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METABOLITE INACTIVE -> PARENT |
MAJOR
PLASMA; URINE
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METABOLITE INACTIVE -> PARENT |
MAJOR
PLASMA; URINE
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METABOLITE -> PARENT |
PLASMA; URINE
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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Elimination PHARMACOKINETIC |
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