LEVOSIMENDAN


Synonyms	(-)-OR-1259 (r)-simendan Levosimendan NSC-759644 OR-1259 Simdax Simendan, (r)-
Status
Molecule Category	UNKNOWN
ATC	C01CX08
UNII	C6T4514L4E
EPA CompTox	DTXSID9046445


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	WHXMKTBCFHIYNQ-SECBINFHSA-N
Smiles	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

Mechanism of Action	Action	Reference
Phosphodiesterase 3 inhibitor	INHIBITOR	PubMed PubMed


Protein: Phosphodiesterase 3 Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B Organism : Homo sapiens Q13370 ENSG00000152270











Protein: Phosphodiesterase 3 Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A Organism : Homo sapiens Q14432 ENSG00000172572

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A	-	8	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B	-	8	-	-	-

Assay Description	Organism	Bioactivity
Inhibition of phosphodiesterase 3	None	8.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	2.45 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	2.206 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.02 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.02 %

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