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

Compound

	ID:	e2176
	Name:	Maduramicin ammonium
	Description:
	Labels:
	CAS:	84878-61-5
	InChi Code:	InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35?,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1

Properties

Agonists: Activity in AR agonist pathway

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