HY-17542

Category	SARS-CoV
CAS	1093070-14-4
Description	HY-17542 is a potent inhibitor of papain-like protease (PLpro) with IC50 of 2.6 μM.

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Synonyms	PLpro inhibitor 6; (R)-5-acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide; HY 17542; HY17542
IUPAC Name	5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Molecular Weight	346.43
Molecular Formula	C22H22N2O2
Canonical SMILES	CC1=C(C=C(C=C1)NC(=O)C)C(=O)NC(C)C2=CC=CC3=CC=CC=C32
InChI	InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1
InChIKey	KGPYBLOBHQLIET-OAHLLOKOSA-N
Purity	>98%
Solubility	In vitro: 10 mM in DMSO
Appearance	White to off-white (Solid)
Complexity	506
Exact Mass	346.168127949
In Vitro	PLpro inhibitor is a potent inhibitor against the papain-like protease (PLpro) from the coronavirus that causes severe acute respiratory syndrome (SARS-CoV). PLpro inhibitor was found to have IC50 value of 2.6 ± 0.1 μM. PLpro inhibitor display significant antiviral activity with EC50 values of 13.1±0.7 uM, without toxicity up to the highest concentration tested. Notably, the increasing antiviral potency correlates with the in vitro inhibition of PLpro, suggesting that the compounds work directly on the enzyme in cells.
PSA	65.18000
Target	SARS-CoV
XLogP3-AA	3.9