Viira, B.; Garcia-Sosa, A. T.; Maran, U. Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets. J. Mol. Graph. Model. 2017, 76, 205-223.
Compound
| ID: | 8 | |
|---|---|---|
| Name: | 6-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one | |
| Description: | CHEMBL329653, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | oxazepanone, median_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3 |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.72 |
experimental value |
| 6.5638 |
Eq.1: Antiviral binding affinity for NNRTIs (validation) |