10967/236 - QDB Compounds

QsarDB Repository

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

Compound

ID:1620
Name:UK-337312
Description:
Labels:
CAS:203942-49-8
InChi Code:InChI=1S/C33H39Cl2F6N2O/c1-42(30(44)24-17-26(32(36,37)38)20-27(18-24)33(39,40)41)21-23(22-7-8-28(34)29(35)19-22)9-13-43-14-10-31(11-15-43,12-16-43)25-5-3-2-4-6-25/h7-8,17-20,23,25H,2-6,9-16,21H2,1H3/q+1

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

agonist

Agonists_model: Agonist model (Test set)