TX2-121-1

Ligand id: 9242

Name: TX2-121-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 140.29
Molecular weight 716.42
XLogP 8.72
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-4-(1-adamantyl)-N-[2-[4-[4-amino-3-[4-phenoxy-3-(prop-2-enoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethyl]-2-methylbutanamide
Synonyms
conjugate 2e [PMID: 26094118]
Comments
TX2-121-1 is a functional analogue of TX1-85-1 [1]. It acts to inhibit HER3-dependent signalling and growth, likely due to the effect of the conjugated hydrophobic adamantine group which is believed to target HER3 for proteasome-mediated degradation. Targeted degradation reduces the amount of HER3 available to form the HER3 heterodimers believed to be required for cellular activity.
Database Links
GtoPdb PubChem SID 315661317
PubChem CID 78243759
Search Google for chemical match using the InChIKey GKJWHLDKQULMHJ-PZMWFESPSA-N
Search Google for chemicals with the same backbone GKJWHLDKQULMHJ
Search UniChem for chemical match using the InChIKey GKJWHLDKQULMHJ-PZMWFESPSA-N
Search UniChem for chemicals with the same backbone GKJWHLDKQULMHJ