compound 19a [PMID: 24359159]

Ligand id: 6977

Name: compound 19a [PMID: 24359159]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 109.23
Molecular weight 353.15
XLogP 1.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Database Links
ChEMBL Ligand CHEMBL3116050
GtoPdb PubChem SID 178103556
PubChem CID 45275255
Search Google for chemical match using the InChIKey QHXBWJSQXSYAGG-VIFPVBQESA-N
Search Google for chemicals with the same backbone QHXBWJSQXSYAGG
Search UniChem for chemical match using the InChIKey QHXBWJSQXSYAGG-VIFPVBQESA-N
Search UniChem for chemicals with the same backbone QHXBWJSQXSYAGG
Comments
Compound 19a is a potent, orally bioavailable Jak2 inhibitor [1], although data from this article suggest that 19a is equipotent (IC50 <3nM) at JAK1 and JAK2, but with significantly lower affinity for JAK3 (IC50 220nM).