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:e1883
Name:(-)-Pentazocine succinate
Description:
Labels:
CAS:124819-25-6
InChi Code:InChI=1S/C19H27NO.C4H6O4/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;5-3(6)1-2-4(7)8/h5-7,12,14,18,21H,8-11H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/t14-,18+,19+;/m0./s1

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

agonist

Agonists_model: Agonist model (Evaluation set)