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

Compound

	ID:	e1728
	Name:	Tiquizium bromide
	Description:
	Labels:
	CAS:	71731-58-3
	InChi Code:	InChI=1S/C19H24NS2.BrH/c1-20-11-3-2-6-16(20)10-9-15(14-20)19(17-7-4-12-21-17)18-8-5-13-22-18;/h4-5,7-8,12-13,16H,2-3,6,9-11,14H2,1H3;1H/q+1;/p-1/t16-,20-;/m1./s1

Properties

Agonists: Activity in AR agonist pathway

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