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:	17
	Name:	1-(5-bromopyridin-2-yl)-3-[2-(4-oxoimidazo[1,2-a]quinoxalin-5-yl)ethyl]thiourea
	Description:	CHEMBL320557, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	piperazinone, median_value
	CAS:
	InChi Code:	InChI=1S/C18H15BrN6OS/c19-12-5-6-15(22-11-12)23-18(27)21-8-10-25-14-4-2-1-3-13(14)24-9-7-20-16(24)17(25)26/h1-7,9,11H,8,10H2,(H2,21,22,23,27)

Properties

pKi: Antiviral binding affinity equilibrium constant as p(Ki) [-log(mol/L)]

Value	Source or prediction
6.17	experimental value
6.1909	Eq.1: Antiviral binding affinity for NNRTIs (training)