mitiperstat   Click here for help

GtoPdb Ligand ID: 12154

Synonyms: AZD-4831 | AZD4831 | compound 16 [PMID: 36005476]
Compound class: Synthetic organic
Comment: Mitiperstat (AZD4831) is an irreversible and selective myeloperoxidase (MPO) inhibitor that was developed by AstraZeneca [2,2]. It is intended as a treament of patients suffering from heart failure with preserved ejection fraction (HFpEF).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 111.69
Molecular weight 334.07
XLogP 3.96
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(c(c1)[C@H](N)C)Cn1c(=S)[nH]c(=O)c2c1cc[nH]2
Isomeric SMILES C[C@H](c1c(ccc(c1)Cl)Cn1c2c(c(=O)[nH]c1=S)[nH]cc2)N
InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11984 mitiperstat
Synonyms Click here for help
AZD-4831 | AZD4831 | compound 16 [PMID: 36005476]
Database Links Click here for help
BindingDB Ligand 312172
CAS Registry No. 1933460-19-5 (source: WHO INN record)
GtoPdb PubChem SID 472319276
PubChem CID 121362450
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