GRL-0617

GRL-0617
Identifiers
	IUPAC name 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;
CAS Number	1093070-16-6 ;
PubChem CID	24941262;
IUPHAR/BPS	11078;
DrugBank	DB08656;
ChemSpider	24617535;
UNII	GRL-0617;
ChEBI	CHEBI:167176;
ChEMBL	ChEMBL549695;
CompTox Dashboard (EPA)	DTXSID10660795 ;
Chemical and physical data
Formula	C20H20N2O
Molar mass	304.393 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32;
	InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1; Key:UVERBUNNCOKGNZ-CQSZACIVSA-N;

GRL-0617 is a drug which is one of the first compounds discovered that acts as a selective small-molecule inhibitor of the protease enzyme papain-like protease (PLpro) found in some human pathogenic viruses, including the coronavirus SARS-CoV-2. It has been shown to inhibit viral replication in silico ^[1] and in vitro.^[2]^[3]^[4]^[5]

References

^ Shanker AK, Bhanu D, Alluri A, Gupta S (May 2020). "Whole-genome sequence analysis and homology modelling of the main protease and non-structural protein 3 of SARS-CoV-2 reveal an aza-peptide and a lead inhibitor with possible antiviral properties". New Journal of Chemistry. 44 (22): 9202–9212. doi:10.1039/D0NJ00974A. S2CID 218938798.
^ Shin D, Mukherjee R, Grewe D, Bojkova D, Baek K, Bhattacharya A, et al. (November 2020). "Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity". Nature. 587 (7835): 657–662. Bibcode:2020Natur.587..657S. doi:10.1038/s41586-020-2601-5. PMC 7116779. PMID 32726803.
^ Hajbabaie R, Harper MT, Rahman T (February 2021). "Establishing an Analogue Based In Silico Pipeline in the Pursuit of Novel Inhibitory Scaffolds against the SARS Coronavirus 2 Papain-Like Protease" (PDF). Molecules. 26 (4): 1134. doi:10.3390/molecules26041134. PMC 7924369. PMID 33672721.
^ Lim CT, Tan KW, Wu M, Ulferts R, Armstrong LA, Ozono E, et al. (July 2021). "Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of Nsp3 papain-like protease". The Biochemical Journal. 478 (13): 2517–2531. doi:10.1042/BCJ20210244. PMC 8286840. PMID 34198325.
^ Xiang R, Yu Z, Wang Y, Wang L, Huo S, Li Y, et al. (July 2021). "Recent advances in developing small-molecule inhibitors against SARS-CoV-2". Acta Pharmaceutica Sinica B. 12 (4): 1591–1623. doi:10.1016/j.apsb.2021.06.016. PMC 8260826. PMID 34249607.

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[1] Shanker AK, Bhanu D, Alluri A, Gupta S (May 2020). "Whole-genome sequence analysis and homology modelling of the main protease and non-structural protein 3 of SARS-CoV-2 reveal an aza-peptide and a lead inhibitor with possible antiviral properties". New Journal of Chemistry. 44 (22): 9202–9212. doi:10.1039/D0NJ00974A. S2CID 218938798.

[2] Shin D, Mukherjee R, Grewe D, Bojkova D, Baek K, Bhattacharya A, et al. (November 2020). "Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity". Nature. 587 (7835): 657–662. Bibcode:2020Natur.587..657S. doi:10.1038/s41586-020-2601-5. PMC 7116779. PMID 32726803.

[3] Hajbabaie R, Harper MT, Rahman T (February 2021). "Establishing an Analogue Based In Silico Pipeline in the Pursuit of Novel Inhibitory Scaffolds against the SARS Coronavirus 2 Papain-Like Protease" (PDF). Molecules. 26 (4): 1134. doi:10.3390/molecules26041134. PMC 7924369. PMID 33672721.

[4] Lim CT, Tan KW, Wu M, Ulferts R, Armstrong LA, Ozono E, et al. (July 2021). "Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of Nsp3 papain-like protease". The Biochemical Journal. 478 (13): 2517–2531. doi:10.1042/BCJ20210244. PMC 8286840. PMID 34198325.

[5] Xiang R, Yu Z, Wang Y, Wang L, Huo S, Li Y, et al. (July 2021). "Recent advances in developing small-molecule inhibitors against SARS-CoV-2". Acta Pharmaceutica Sinica B. 12 (4): 1591–1623. doi:10.1016/j.apsb.2021.06.016. PMC 8260826. PMID 34249607.

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See also

References