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:997
Name:1,1,2,2-Tetrahydroperfluoro-1-decanol
Description:
Labels:
CAS:678-39-7
InChi Code:InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Agonists_model: Agonist model (Test set)

Antagonists: Activity in AR antagonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Antagonists_model: Antagonist model (Test set)

Binders: Activity in androgen receptor

ValueSource or prediction
inactive

experimental value

binder

Binders_model: Binding model (Test set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
inactive

experimental value

antagonist

MultiClass_model: Multi-Class model (Test set)