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:e3897
Name:Bromocresol green sodium salt
Description:
Labels:
CAS:62625-32-5
InChi Code:InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)20(26)18(9)24)17(11-5-3-4-6-16(11)31(28,29)30)13-8-15(23)21(27)19(25)10(13)2;/h3-8,26H,1-2H3,(H,28,29,30);/q;+1/p-1/b17-13-;

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

agonist

Agonists_model: Agonist model (Evaluation set)