DrugRepV|Encyclopedia for antivirals

Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_4919

Chemical Information
Antiviral agent ID DrugRepV_4919
Antiviral agent name N-tert-butyl-2-[N-(4-tert-butylphenyl)-1-(furan-2-yl)formamido]-2-(pyridin-3-yl)acetamide
IUPAC Name N-tert-butyl-2-[N-(4-tert-butylphenyl)-1-(furan-2-yl)formamido]-2-(pyridin-3-yl)acetamide
SMILES (canonical) CC(C)(C)NC(=O)C(N(C(=O)C1=CC=CO1)C1=CC=C(C=C1)C(C)(C)C)C1=CN=CC=C1
Molecular Formula C26H31N3O3
Molecular Weight (g/mol) 433.552

InChl InChI=1/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)
Structural Information

Clinical Information
Biological Information
Secondary Indication Middle East respiratory syndrome coronavirus (MERS-CoV) NA NA
Secondary Indication (Approaches) Experimental
Secondary Indication (Methods) In-vitro
Secondary Indication (Drug concentration) 100 μM
Secondary Indication (Change) Decrease
Secondary Indication (Type of Inhibition) Percentage Inhibition [ 28 % ]
Reference St John SE, Tomar S, Stauffer SR, Mesecar AD..Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4--The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)..Bioorg Med Chem. 2015 Sep 1;23(17):6036-48. doi: 10.1016/j.bmc.2015.06.039. Epub 2015 Jun 19. PubMed PMID:26190463
Comment A 230-member peptidomimetic library against HKU4-CoV 3CL^pro and the identification of 43 peptidomimetic compounds show good to excellent inhibitory potency of HKU4-CoV 3CL^pro with IC50 values ranging from low micromolar to sub-micromolar.

Copyright © 2019. CSIR-Institute of Microbial Technology, Chandigarh, INDIA.

Chemical Information
Antiviral agent ID	DrugRepV_4919
Antiviral agent name	N-tert-butyl-2-[N-(4-tert-butylphenyl)-1-(furan-2-yl)formamido]-2-(pyridin-3-yl)acetamide
IUPAC Name	N-tert-butyl-2-[N-(4-tert-butylphenyl)-1-(furan-2-yl)formamido]-2-(pyridin-3-yl)acetamide
SMILES (canonical)	CC(C)(C)NC(=O)C(N(C(=O)C1=CC=CO1)C1=CC=C(C=C1)C(C)(C)C)C1=CN=CC=C1
Molecular Formula	C26H31N3O3
Molecular Weight (g/mol)	433.552
InChl	InChI=1/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)
Structural Information

Clinical Information
Biological Information
Secondary Indication	Middle East respiratory syndrome coronavirus (MERS-CoV) NA NA
Secondary Indication (Approaches)	Experimental
Secondary Indication (Methods)	In-vitro
Secondary Indication (Drug concentration)	100 μM
Secondary Indication (Change)	Decrease
Secondary Indication (Type of Inhibition)	Percentage Inhibition [ 28 % ]
Reference	St John SE, Tomar S, Stauffer SR, Mesecar AD..Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4--The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)..Bioorg Med Chem. 2015 Sep 1;23(17):6036-48. doi: 10.1016/j.bmc.2015.06.039. Epub 2015 Jun 19. PubMed PMID:26190463
Comment	A 230-member peptidomimetic library against HKU4-CoV 3CL^pro and the identification of 43 peptidomimetic compounds show good to excellent inhibitory potency of HKU4-CoV 3CL^pro with IC50 values ranging from low micromolar to sub-micromolar.