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: | 25 | |
|---|---|---|
| Name: | N'-pyrrolo[1,2-a]quinoxalin-4-ylpyridine-2-carbohydrazide | |
| Description: | CHEMBL321479, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | pyrazine, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H13N5O/c23-17(13-7-3-4-10-18-13)21-20-16-15-9-5-11-22(15)14-8-2-1-6-12(14)19-16/h1-11H,(H,19,20)(H,21,23) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.39 |
experimental value |
| 5.6334 |
Eq.1: Antiviral binding affinity for NNRTIs (training) |