ruxolitinib

Ligand id: 5688

Name: ruxolitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 83.18
Molecular weight 306.16
XLogP 1.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2011), EMA (2012))
IUPAC Name
(3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile
International Nonproprietary Names
INN number INN
9287 ruxolitinib
Synonyms
(R)-ruxolitinib | INC424 | INCB 18424 | INCB018424 | Jakafi® | Jakavi®
Database Links
CAS Registry No. 941685-37-6
ChEMBL Ligand CHEMBL1789941
GtoPdb PubChem SID 178102315
PubChem CID 25126798
RCSB PDB Ligand RXT
Search Google for chemical match using the InChIKey HFNKQEVNSGCOJV-OAHLLOKOSA-N
Search Google for chemicals with the same backbone HFNKQEVNSGCOJV
Search PubMed clinical trials ruxolitinib
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Search PubMed titles/abstracts ruxolitinib
Search UniChem for chemical match using the InChIKey HFNKQEVNSGCOJV-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone HFNKQEVNSGCOJV
Wikipedia Ruxolitinib
Comments
Ruxolitinib is a Type-1 kinase inhibitor and was first approved by the US FDA in 2011. Ruxolitinib has high potency against Janus kinases 1 and 2 (JAK1, JAK2), as well as against the related family member, tyrosine kinase 2 (TYK2) [2]. Inhibitory activity against JAK3 is only slightly reduced compared to the other three family kinases.
Marketed formulations may contain ruxolitinib phosphate (PubChem CID 25127112).