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

Compound

	ID:	e2152
	Name:	Selumetinib
	Description:
	Labels:
	CAS:	606143-52-6
	InChi Code:	InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)

Properties

Agonists: Activity in AR agonist pathway

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