JAK3 inhibitor 32

Ligand id: 10156

Name: JAK3 inhibitor 32

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 131.94
Molecular weight 448.11
XLogP 3.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-((1R,3S)-3-Cyanamido-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)-3-cyanobenzenesulfonamide
Synonyms
compound 32 [PMID: 30423248]
Comments
Compound 32 is an exemplar selective and covalent Janus kinase 3 (JAK3) inhibitor that was discovered by Casimiro-Garcia et al. [1]. It was designed such that its cyanamide group directly engages the Cys909 residue in JAK3, and it exhibits irreversible binding in a competition binding assay.
Database Links
GtoPdb PubChem SID 381118866
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