CELIPROLOL


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


InChI Key	JOATXPAWOHTVSZ-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
InChI	InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)

Mechanism of Action	Action	Reference
Adrenergic receptor alpha-2 antagonist	ANTAGONIST	PubMed PubMed PubMed PubMed PubMed


Protein: Beta-2 adrenergic receptor Description: Beta-2 adrenergic receptor Organism : Homo sapiens P07550 ENSG00000169252











Protein: Beta-1 adrenergic receptor Description: Beta-1 adrenergic receptor Organism : Homo sapiens P08588 ENSG00000043591










Protein: Adrenergic receptor alpha-2 Description: Alpha-2A adrenergic receptor Organism : Homo sapiens P08913 ENSG00000150594










Protein: Adrenergic receptor alpha-2 Description: Alpha-2B adrenergic receptor Organism : Homo sapiens P18089 ENSG00000274286










Protein: Adrenergic receptor alpha-2 Description: Alpha-2C adrenergic receptor Organism : Homo sapiens P18825 ENSG00000184160

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	8913	-

Assay Description	Organism	Bioactivity
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	-4.12 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	11.44 %
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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