Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

	ID:	1625
	Name:	Aplaviroc hydrochloride
	Description:
	Labels:
	CAS:	461023-63-2
	InChi Code:	InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)

Properties

Agonists: Activity in AR agonist pathway

Value	Source or prediction
inactive	experimental value
agonist	Agonists_model: Agonist model (Test set)