DrugRepV|Encyclopedia for antivirals

Chemical, Structural, Clinical and Biological details of Antiviral agents ID: DrugRepV_4862

Chemical Information
Antiviral agent ID DrugRepV_4862
Antiviral agent name N-(4-tert-butylphenyl)-N-[(pyridin-3-yl)methyl]furan-3-carboxamide
IUPAC Name N-(4-tert-butylphenyl)-N-[(pyridin-3-yl)methyl]furan-3-carboxamide
SMILES (canonical) CC(C)(C)C1=CC=C(C=C1)N(CC1=CN=CC=C1)C(=O)C1=COC=C1
Molecular Formula C21H22N2O2
Molecular Weight (g/mol) 334.419

InChl InChI=1S/C21H22N2O2/c1-21(2,3)18-6-8-19(9-7-18)23(14-16-5-4-11-22-13-16)20(24)17-10-12-25-15-17/h4-13,15H,14H2,1-3H3
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 [ 24 % ]
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_4862
Antiviral agent name	N-(4-tert-butylphenyl)-N-[(pyridin-3-yl)methyl]furan-3-carboxamide
IUPAC Name	N-(4-tert-butylphenyl)-N-[(pyridin-3-yl)methyl]furan-3-carboxamide
SMILES (canonical)	CC(C)(C)C1=CC=C(C=C1)N(CC1=CN=CC=C1)C(=O)C1=COC=C1
Molecular Formula	C21H22N2O2
Molecular Weight (g/mol)	334.419
InChl	InChI=1S/C21H22N2O2/c1-21(2,3)18-6-8-19(9-7-18)23(14-16-5-4-11-22-13-16)20(24)17-10-12-25-15-17/h4-13,15H,14H2,1-3H3
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 [ 24 % ]
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.