verdiperstat   Click here for help

GtoPdb Ligand ID: 10052

Synonyms: AZD-3241 | AZD3241
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Verdiperstat is a thiouracil-based, irreversible mechanism-based, investigational myeloperoxidase (MPO) inhibitor [2]. It was designed to delay progression in patients with neurodegenerative brain disorders.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 94.9
Molecular weight 253.09
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(OCCn1c(=S)[nH]c(=O)c2c1cc[nH]2)C
Isomeric SMILES CC(OCCn1c(=S)[nH]c(=O)c2c1cc[nH]2)C
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)
InChI Key FVJCUZCRPIMVLB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[2,3-e]pyrimidin-4-one
International Nonproprietary Names Click here for help
INN number INN
10251 verdiperstat
Synonyms Click here for help
AZD-3241 | AZD3241
Database Links Click here for help
CAS Registry No. 890655-80-8 (source: WHO INN record)
DrugBank Ligand DB12440
GtoPdb PubChem SID 375973240
PubChem CID 11528958
RCSB PDB Ligand W4Y
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