LEVOSIMENDAN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01CX08
UNII: C6T4514L4E

Structure
InChI Key WHXMKTBCFHIYNQ-SECBINFHSA-N
Smile C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
InChI
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12N6O
Molecular Weight 280.29
AlogP 1.36
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 113.43
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 3 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- 8 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- 8 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
ST Elevation Myocardial Infarction 3 D000072657 ClinicalTrials
Shock 3 D012769 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials
Muscular Diseases 2 D009135 ClinicalTrials
Ischemic Attack, Transient 2 D002546 ClinicalTrials
Stroke 2 D020521 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 141505-33-1
ChEBI 50567
ChEMBL CHEMBL2051955
DrugBank DB00922
DrugCentral 1576
EPA CompTox DTXSID9046445
FDA SRS C6T4514L4E
Human Metabolome Database HMDB0015058
PharmGKB PA164749138
PubChem 3033825
SureChEMBL SCHEMBL83243
ZINC ZINC000003915645
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