milrinone   Click here for help

GtoPdb Ligand ID: 5225

Synonyms: milrinone lactate | Primacor®
Approved drug PDB Ligand
milrinone is an approved drug (FDA (1987))
Compound class: Synthetic organic
Comment: Milrinone is a phosphodiesterase 3 (PDE3) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 69.54
Molecular weight 211.07
XLogP 1.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1cc(c2ccncc2)c([nH]c1=O)C
Isomeric SMILES N#Cc1cc(c2ccncc2)c([nH]c1=O)C
InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
InChI Key PZRHRDRVRGEVNW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name Click here for help
6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile
International Nonproprietary Names Click here for help
INN number INN
5383 milrinone
Synonyms Click here for help
milrinone lactate | Primacor®
Database Links Click here for help
CAS Registry No. 78415-72-2
ChEBI CHEBI:50693
ChEMBL Ligand CHEMBL189
DrugBank Ligand DB00235
DrugCentral Ligand 1809
GtoPdb PubChem SID 178101910
PubChem CID 4197
RCSB PDB Ligand MIL
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Tocris
Milrinone
Cat. No. 1504