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: | 22 | |
|---|---|---|
| Name: | N'-pyrrolo[1,2-a]quinoxalin-4-ylpyrazine-2-carbohydrazide | |
| Description: | CHEMBL322698, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | pyrazine, median_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.09 |
experimental value |
| 5.9246 |
Eq.1: Antiviral binding affinity for NNRTIs (validation) |