JAK3 inhibitor IV

Ligand id: 5994

Name: JAK3 inhibitor IV

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 331.19
XLogP 8.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one
Synonyms
ZM-39923 | ZM39923
Comments
This is compound 7 in [2], and is also known as ZM39923. It was originally identified as an ATP-binding site inhibitor of JAK3 [5], but has additionally been reported to inhibit transglutaminase 2 (TGM2) with nanomolar potency in vitro [4].
Database Links
CAS Registry No. 273727-89-2
ChEMBL Ligand CHEMBL596674
GtoPdb PubChem SID 178102616
PubChem CID 3797
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