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: | 38 | |
|---|---|---|
| Name: | bis[(4-methylphenyl)amino]-1,3,5-triazin-2-ol | |
| Description: | 18b, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | triazine, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H17N5O/c1-11-3-7-13(8-4-11)18-15-20-16(22-17(23)21-15)19-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,18,19,20,21,22,23) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.26 |
experimental value |
| 4.6071 |
Eq.1: Antiviral binding affinity for NNRTIs (validation) |