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Compound Detail

CHEMBL4297594

VERDIPERSTAT
🧪 Phase III
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🧪 Phase III
CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297594
Name VERDIPERSTAT
Phase Phase III
Structure Type MOL
InChI Key FVJCUZCRPIMVLB-UHFFFAOYSA-N

Known Names

Azd 3241 AZD-3241 Azd3241 BHV-3241 BHV-3421 Verdiperstat
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
6
Known Names
4
Indications
1
Mechanisms

Molecular Properties

253.3
MW (Da)
1.81
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -stat
USAN Year 2019

Extended Properties

Molecular Formula C11H15N3O2S
MW 253.33
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.33

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Myeloperoxidase inhibitor INHIBITOR Myeloperoxidase ✓ ✓

Indications

Multiple System Atrophy Amyotrophic Lateral Sclerosis Parkinson Disease Frontotemporal Dementia

Activity Summary

IC50 2 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myeloperoxidase
CHEMBL2439
 IC50 6.2 6.2 630.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myeloperoxidase IC50 = 630.0 nM 6.2 Inhibition of MPO (unknown origin) 30466896
Myeloperoxidase IC50 = 630.0 nM 6.2 Inhibition of myeloperoxidase (unknown origin) 32503688

Literature References

PubMed DOI Target Context # Activities
30466896 10.1016/j.bmcl.2018.11.031 Myeloperoxidase 1
32503688 10.1016/j.bmc.2020.115548 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine