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:	36
	Name:	Nevirapine
	Description:	CHEMBL57
	Labels:	diazepanone, median_value
	CAS:	129618-40-2
	InChi Code:	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID7031797	US EPA CompTox Dashboard