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: | 39 | |
|---|---|---|
| Name: | 2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine | |
| Description: | 18a, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | triazine, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H18N6/c1-11-3-7-13(8-4-11)19-16-21-15(18)22-17(23-16)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H4,18,19,20,21,22,23) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.94 |
experimental value |
| 3.8783 |
Eq.1: Antiviral binding affinity for NNRTIs (training) |