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]

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.

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