Structure and Physico-chemical Properties
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Molecular properties generated using the CDK |
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Ligand Activity Visualisation Charts
These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.
✖Classification  |
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| Compound class | Synthetic organic |
| Approved drug? | Yes (EMA (2017), FDA (2018)) |
| IUPAC Name |
| 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile |
| International Nonproprietary Names |
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| INN number | INN |
| 9570 | baricitinib |
| Synonyms |
| INCB-028050 | INCB028050 | LY-3009104 | LY3009104 | Olumiant® |
| Comments |
| Baricitinib is a JAK1 and 2 selective inhibitor. The compound is orally bioavailable. Through the application of proprietary artificial intelligence (AI) algorithms baricitinib has been predicted to possess antiviral activity in addition to its known anti-inflammatory efficacy [1,8-9]. Antiviral activity is predicted to arise from inhibition of the numb-associated kinase (NAK) AAK1 which is an important regulator of clathrin-mediated endocytosis. Inhibition of AAK1 would likely reduce the ability of viruses to infect lung cells, and is being proposed as a pharmacological mechanism that warrants further investigation as a treatment for SARS-CoV-2 infection (COVID-19 disease). In addition, the powerful anti-inflammatory activity of baricitinib (and potentially other approved JAK inhibitors such as fedratinib, and ruxolitinib) is likely to be effective against the pathological effects of raised cytokine levels (e.g. interferon γ) in patients with severe COVID-19. Short term use of baricitinib during the course of SARS-CoV-2 infection (7-14 days) is not anticipated to cause serious side-effects. |
| Database Links |
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| CAS Registry No. | 1187594-09-7 |
| ChEMBL Ligand | CHEMBL2105759 |
| GtoPdb PubChem SID | 223366123 |
| PubChem CID | 44205240 |
| RCSB PDB Ligand | 3JW |
| Search Google for chemical match using the InChIKey | XUZMWHLSFXCVMG-UHFFFAOYSA-N |
| Search Google for chemicals with the same backbone | XUZMWHLSFXCVMG |
| Search PubMed clinical trials | baricitinib |
| Search PubMed titles | baricitinib |
| Search PubMed titles/abstracts | baricitinib |
| Search UniChem for chemical match using the InChIKey | XUZMWHLSFXCVMG-UHFFFAOYSA-N |
| Search UniChem for chemicals with the same backbone | XUZMWHLSFXCVMG |
| Wikipedia | Baricitinib |
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