Synonyms: Cibinqo® | compound 25 [PMID: 29298069] | PF-04965842 | PF04965842
abrocitinib is an approved drug (UK, Japan & EMA (2021), FDA (2022))
Compound class:
Synthetic organic
Comment: Abrocitinib (PF-04965842) is a JAK inhibitor [5]. X-ray crystal structures of PF-04965842 bound to both JAK1 and JAK2 have been deposited with the Protein DataBank (accession IDs 6BBU and 6BBV respectively). We used the SMILES string supplied with the article in which the structure was declared [5] to generate our representation of the chemical structure. The IUPAC name in abrocitinib's INN record resolves to the same StdInChIKey as our structure. PubChem CID 78323835 represents the structure without specified stereochemistry.
The JAKs are immunokinases that are molecular targets of therapeutics which are used in the treatment of immune-mediated diseases. Ligand Activity Visualisation ChartsThese 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. ✖ |
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Classification | |
Compound class | Synthetic organic |
Approved drug? | Yes (UK, Japan & EMA (2021), FDA (2022)) |
IUPAC Name |
N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide |
International Nonproprietary Names | |
INN number | INN |
11012 | abrocitinib |
Synonyms |
Cibinqo® | compound 25 [PMID: 29298069] | PF-04965842 | PF04965842 |
Database Links | |
BindingDB Ligand | 159748 |
ChEMBL Ligand | CHEMBL3655081 |
GtoPdb PubChem SID | 374883878 |
PubChem CID | 78323835 |
RCSB PDB Ligand | D7D |
Search Google for chemical match using the InChIKey | IUEWXNHSKRWHDY-PHIMTYICSA-N |
Search Google for chemicals with the same backbone | IUEWXNHSKRWHDY |
Search PubMed clinical trials | abrocitinib |
Search PubMed titles | abrocitinib |
Search PubMed titles/abstracts | abrocitinib |
SynPHARM | 85286 (in complex with Janus kinase 2) |
UniChem Compound Search for chemical match using the InChIKey | IUEWXNHSKRWHDY-PHIMTYICSA-N |
UniChem Connectivity Search for chemical match using the InChIKey | IUEWXNHSKRWHDY-PHIMTYICSA-N |