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:	14
	Name:	1-(5-bromopyridin-2-yl)-3-[2-(7-chloro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]thiourea
	Description:	CHEMBL110091, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	piperazinone, median_value
	CAS:
	InChi Code:	InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)

Properties

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

Value	Source or prediction
6.81	experimental value
6.8913	Eq.1: Antiviral binding affinity for NNRTIs (training)