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: | 24 | |
|---|---|---|
| Name: | 1-(5-bromopyridin-2-yl)-3-(pyrrolo[1,2-a]quinoxalin-4-ylamino)urea | |
| Description: | CHEMBL107586, chemical names origin from Pubchem, when ever possible systematic names are provided | |
| Labels: | pyrazine, original_value | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H13BrN6O/c18-11-7-8-15(19-10-11)21-17(25)23-22-16-14-6-3-9-24(14)13-5-2-1-4-12(13)20-16/h1-10H,(H,20,22)(H2,19,21,23,25) |
Properties
pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.59 |
experimental value |
| 5.5329 |
Eq.1: Antiviral binding affinity for NNRTIs (training) |