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Details

Stereochemistry ACHIRAL
Molecular Formula C24H26N4O3S
Molecular Weight 450.553
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MITAPIVAT

SMILES

O=C(N1CCN(CC2CC2)CC1)C3=CC=C(NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)C=C3

InChI

InChIKey=XAYGBKHKBBXDAK-UHFFFAOYSA-N
InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2

HIDE SMILES / InChI

Molecular Formula C24H26N4O3S
Molecular Weight 450.553
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including http://www.medkoo.com/products/12088

Mitapivat, also known as PKM2 activator 1020, is an activator of a pyruvate kinase PKM2, an enzyme involved in glycolysis. It was disclosed in a patent publication WO 2011002817 A1 as compound 78.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
Activity of PKM2 was measured as changes in absorbance at 350 nm. Reaction mix contained compound, PKM2, ADP, PEP, NADH and LDH prepared in reaction buffer.
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:52:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:52:28 GMT 2023
Record UNII
2WTV10SIKH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITAPIVAT
INN  
INN  
Official Name English
8-QUINOLINESULFONAMIDE, N-(4-((4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL)CARBONYL)PHENYL)-
Systematic Name English
N-(4-((4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL)CARBONYL)PHENYL)-8-QUINOLINESULFONAMIDE
Systematic Name English
mitapivat [INN]
Common Name English
PKR-IN-1
Common Name English
Mitapivat [WHO-DD]
Common Name English
AG-348
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 739920
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
FDA ORPHAN DRUG 781120
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
Code System Code Type Description
CAS
1260075-17-9
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
RXCUI
2594468
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
PUBCHEM
59634741
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
INN
10226
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
DAILYMED
2WTV10SIKH
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
SMS_ID
100000183177
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
FDA UNII
2WTV10SIKH
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
NCI_THESAURUS
C157039
Created by admin on Sat Dec 16 10:52:29 GMT 2023 , Edited by admin on Sat Dec 16 10:52:29 GMT 2023
PRIMARY
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IC50
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EC50
TARGET->INVERSE AGONIST
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METABOLIC ENZYME -> SUBSTRATE
MAJOR
METABOLIC ENZYME -> INDUCER
More than two-fold increase in mRNA expression concentration dependence. Use of mitapivat should be avoided with substrates of CYP3A, CYP2B6, or CYP2C that have narrow therapeutic index.
SALT/SOLVATE -> PARENT
BINDER->LIGAND
SALT/SOLVATE -> PARENT
OFF-TARGET->INHIBITOR
BINDING ASSAY
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OFF-TARGET->INHIBITOR
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TARGET -> ACTIVATOR
292 PERCENT ACTIVATION
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TARGET -> ACTIVATOR
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ALLOSTERIC
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OFF-TARGET->INHIBITOR
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OFF-TARGET->INHIBITOR
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METABOLIC ENZYME -> INDUCER
Concentration-dependent increase in CYP3A4/5. Use of mitapivat should be avoided with substrates of CYP3A, CYP2B6, or CYP2C that have narrow therapeutic index. More than two-fold increase in mRNA expression.
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METABOLITE INACTIVE -> PARENT
METABOLITE LESS ACTIVE -> PARENT
MAJOR
METABOLITE INACTIVE -> PARENT
METABOLITE INACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC