VERDIPERSTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TT3345YXVR

Structure
InChI Key FVJCUZCRPIMVLB-UHFFFAOYSA-N
Smile CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21
InChI
InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N3O2S
Molecular Weight 253.33
AlogP 1.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 62.81
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Myeloperoxidase inhibitor PubMed
Primary Target
myeloperoxidase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 630-630 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple System Atrophy 3 D019578 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 890655-80-8
ChEMBL CHEMBL4297594
DrugBank DB12440
FDA SRS TT3345YXVR
Guide to Pharmacology 10052
PDB W4Y
PubChem 11528958
SureChEMBL SCHEMBL1536607
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