10967/259 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.
Compound
ID:e2307
Name:Triflupromazine hydrochloride
Description:
Labels:
CAS:1098-60-8
InChi Code:InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3

Properties

er_ago: Activity in ER agonist pathway

ValueSource or prediction
inactive

experimental value
inactive

Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set)