TX2-121-1

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Ligands
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

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]

Synonyms

conjugate 2e [PMID: 26094118]

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

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.

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.