| Chemical Information | |
| Antiviral agent ID | DrugRepV_8220 | |
| Antiviral agent name | BEZ235 |  |
| IUPAC Name | 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile |  |
| SMILES (canonical) | CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5 | |
| Molecular Formula | C30H23N5O | |
| Molecular Weight (g/mol) | 469.5 | |
| InChl | InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | |
| Structural Information | |
 |
|
| Clinical Information | |
|
Primary Indication (Clinical trial phases) | Investigational
|  |
| Biological Information | |
|
Primary Indication (Disease Category) | Non Infectious Disease
| |
|
Primary Indication (Disease) | Cancer, Solid Tumor, Renal Cancer, Breast Cancer, and Cowden Syndrome
| |
|
Secondary Indication | Vaccinia virus (VACV) NA NA |   |
|
Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
|
Secondary Indication (Model system) [cell lines/ animal models] | HeLa cells
| |
|
Secondary Indication (Viral titer) | 0.01 MOI
| |
|
Secondary Indication (Mode of drug delivery) | Culture
| |
|
Secondary Indication (Duration of drug delivery) | 24 hours
| |
|
Secondary Indication (Drug concentration) | 10 μM
| |
|
Secondary Indication (Change) | Decrease
| |
|
Secondary Indication (Type of Inhibition) | Percent inhibition [ 37.4 % ] | |
|
Reference | Peng C, Zhou Y, Cao S, Pant A, Campos Guerrero ML, McDonald P, Roy A, Yang Z..Identification of Vaccinia Virus Inhibitors and Cellular Functions Necessary for Efficient Viral Replication by Screening Bioactives and FDA-Approved Drugs..Vaccines (Basel). 2020 Jul 21;8(3):E401. doi: 10.3390/vaccines8030401. PMID:32708182
|  |
|
Comment | A customized compound library was screened that contained over 3200 bioactives and FDA (Food and Drug Administration)-approved chemicals, most having known cellular targets, for their inhibitory effects on VACV replication. We identified over 140 compounds that suppressed VACV replication. Many of these hits target cellular pathways previously reported to be required for efficient VACV replication, validating the effectiveness of our screening.
| |