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

Compound

	ID:	e3587
	Name:	PharmaGSID_47337
	Description:
	Labels:
	CAS:	1061517-62-1
	InChi Code:	InChI=1S/C34H32N4O4.Na/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41;/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41);/q;+1/p-1

Properties

Agonists: Activity in AR agonist pathway

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