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:	27
	Name:	1-(5-bromopyridin-2-yl)-3-[2-(5-oxopyrazolo[1,5-c]quinazolin-6-yl)ethyl]thiourea
	Description:	CHEMBL107342, chemical names origin from Pubchem, when ever possible systematic names are provided
	Labels:	diazinanone, median_value
	CAS:
	InChi Code:	InChI=1S/C18H15BrN6OS/c19-12-5-6-16(21-11-12)23-17(27)20-9-10-24-14-4-2-1-3-13(14)15-7-8-22-25(15)18(24)26/h1-8,11H,9-10H2,(H2,20,21,23,27)

Properties

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

Value	Source or prediction
6.67	experimental value
6.4888	Eq.1: Antiviral binding affinity for NNRTIs (training)