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:e2476
Name:1-Nitrobutane
Description:
Labels:
CAS:627-05-4
InChi Code:InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Agonists_model: Agonist model (Evaluation set)