10967/202 - QDB Compounds

QsarDB Repository

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)]

ValueSource or prediction
5.39

experimental value

5.6334

Eq.1: Antiviral binding affinity for NNRTIs (training)