MILRINONE

Search structure
Synonyms:
Status: Approved (1987)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01CE02
UNII: JU9YAX04C7

Structure
InChI Key PZRHRDRVRGEVNW-UHFFFAOYSA-N
Smile Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9N3O
Molecular Weight 211.22
AlogP 1.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 69.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Primary Target
phosphodiesterase 3A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 4700 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- 210-12000 - 150 29-92
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- 210-12000 - 150 29-92
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 1100 - 4670 22-93
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 1100 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 1100 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 1100 - - -
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 5000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Vasospasm, Intracranial 2 D020301 ClinicalTrials
Heart Defects, Congenital 2 D006330 ClinicalTrials
Subarachnoid Hemorrhage 2 D013345 ClinicalTrials
Hypertension, Pulmonary 2 D006976 ClinicalTrials
Reperfusion Injury 1 D015427 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 78415-72-2
ChEBI 50693
ChEMBL CHEMBL189
DrugBank DB00235
DrugCentral 1809
EPA CompTox DTXSID5023324
FDA SRS JU9YAX04C7
Human Metabolome Database HMDB0014380
Guide to Pharmacology 5225
KEGG C07224
PDB MIL
PharmGKB PA164749171
PubChem 4197
SureChEMBL SCHEMBL36947
ZINC ZINC000009224016
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