VERDIPERSTAT

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Synonyms
Status
Molecule Category Free-form
UNII TT3345YXVR

Structure

InChI Key FVJCUZCRPIMVLB-UHFFFAOYSA-N
Smiles 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

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

Target Conservation

Protein: Myeloperoxidase
Description: Myeloperoxidase
Organism : Homo sapiens
P05164 ENSG00000005381

Cross References

Resources Reference
ChEMBL CHEMBL4297594
DrugBank DB12440
FDA SRS TT3345YXVR
Guide to Pharmacology 10052
PDB W4Y
PubChem 11528958
SureChEMBL SCHEMBL1536607
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