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: | 30 | |
|---|---|---|
| Name: | Trovirdine | |
| Description: | CHEMBL39999 | |
| Labels: | pyridine, original_value | |
| CAS: | 149488-17-5 | |
| InChi Code: | InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.22 |
experimental value |
| 5.3348 |
Eq.1: Antiviral binding affinity for NNRTIs (validation) |