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: | 26 | |
|---|---|---|
| Name: | Efavirenz | |
| Description: | CHEMBL223228 | |
| Labels: | oxazinanone, median_value | |
| CAS: | 154598-52-4 | |
| InChi Code: | InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.87 |
experimental value |
| 6.971 |
Eq.1: Antiviral binding affinity for NNRTIs (training) |