JAK3 inhibitor 34

Ligand id: 10157

Name: JAK3 inhibitor 34

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 77.39
Molecular weight 351.15
XLogP 4.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(S)-N-(6-(5-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)cyanamide
Synonyms
compound 34 [PMID: 30423248]
Comments
Compound 34 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.
Database Links
GtoPdb PubChem SID 381118867
RCSB PDB Ligand G4Y
Search Google for chemical match using the InChIKey LOSIDNZHKAVMKF-IBGZPJMESA-N
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Search UniChem for chemical match using the InChIKey LOSIDNZHKAVMKF-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone LOSIDNZHKAVMKF