GNE-4997

Ligand id: 9995

Name: GNE-4997

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.12
Molecular weight 515.18
XLogP 4.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 28 [PMID: 25844760] | GNE 4997 | GNE4997
Comments
GNE-4997 is a tetrahydroindazole-containing inhibitor of the Tec family tyrosine kinase, interleukin-2-inducible tyrosine kinase (ITK) [1]. ITK is involved in T cell development, differentiation, and effector function, and acts downstream of the T cell receptor (TCR) to mediate phospholipase γ-1 (PLCγ1) phosphorylation and subsequent Ca2+ mobilization.
Database Links
GtoPdb PubChem SID 374883882
RCSB PDB Ligand 3P6
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