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Compound Detail

CHEMBL4299940

MITAPIVAT
💊 Approved Drug
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💊 Approved Drug
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4299940
Name MITAPIVAT
Phase Approved
Structure Type MOL
InChI Key XAYGBKHKBBXDAK-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Ag-348 Mitapivat Pkr-in-1
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
3
Known Names
5
Indications
2
Mechanisms

Molecular Properties

450.6
MW (Da)
3.20
ALogP
5
HBA
1
HBD
82.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2022
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

First in Class
USAN Stem -pivat
USAN Year 2018

Extended Properties

Molecular Formula C24H26N4O3S
MW 450.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Pyruvate kinase isozymes R/L activator ACTIVATOR Pyruvate kinase PKLR ✓ ✓
Pyruvate kinase isozymes R/L activator ACTIVATOR Pyruvate kinase PKLR ✓ ✓

Indications

alpha-Thalassemia beta-Thalassemia Anemia, Sickle Cell Thalassemia Liver Diseases

ATC Classification

B06AX04
mitapivat
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: OTHER HEMATOLOGICAL AGENTS

Activity Summary

EC50 2 meas. best 7.7
IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Pyruvate kinase PKM
CHEMBL1075189
 EC50 7.7 7.565 20.0 2
Pyruvate kinase PKM
CHEMBL1075189
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Pyruvate kinase PKM EC50 = 20.0 nM 7.7 Activation of PKM2 (unknown origin) 38408027
Pyruvate kinase PKM IC50 = 20.0 nM 7.7 Inhibition of PKM2 (unknown origin) 39137454
Pyruvate kinase PKM EC50 = 37.0 nM 7.43 Activation of PKM2 (unknown origin) Lys311, Asp354, Met30, Phe26 residues 34726055

Literature References

PubMed DOI Target Context # Activities
39137454 10.1016/j.ejmech.2024.116759 Pyruvate kinase PKM 2
32791196 10.1016/j.bmcl.2020.127462 Pyruvate kinase PKLR 1
34726055 10.1021/acs.jmedchem.1c00981 Pyruvate kinase PKM 1
38408027 10.1021/acs.jmedchem.3c01512 Pyruvate kinase PKM 1

Data from ChEMBL 36 via Core Engine