General
Preferred name
Abrocitinib
Synonyms
PF-04965842 ()
Abrocitinib (PF-04965842) ()
CIBINQO ()
P&D ID
PD078731
CAS
1622902-68-4
Tags
available
drug
Approved by
FDA
PMDA
EMA
First approval
2021
Drug Status
approved
investigational
Max Phase
4.0
Drug indication
psoriasis
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Abrocitinib (PF-04965842) is a potent, orally active and selective JAK1 inhibitor, with IC50s of 29 and 803 nM for JAK1 and JAK2, respectively. Abrocitinib (PF-04965842) exhibits less active effect on TYK2 (IC50, 1.253 ¦ÌM), and inhibits phosphorylation of STAT1, STAT3 and STAT5 after stimulation. Effective in autoimmune disease[1].
PRICE
207
DESCRIPTION
Abrocitinib (PF-04965842) is a JAK inhibitor . 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 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. (GtoPdb)
The JAKs are immunokinases that are molecular targets of therapeutics which are used in the treatment of immune-mediated diseases. (GtoPdb)
DESCRIPTION
Abrocitinib is an oral small-molecule inhibitor of Janus kinase 1 (JAK1). It is used to treat moderate-to-severe atopic dermatitis in adults.
(Enamine Bioactive Compounds)
DESCRIPTION
Abrocitinib (PF-04965842) (PF-04965842) is a potent, specific and orally-active JAK1 inhibitor (IC50s: 29/803 nM for JAK1/2).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
14
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
Enamine Bioactive Compounds
EUbOPEN Chemogenomics Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Molecular Weight
323.14
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
1.25
TPSA
90.98
Fraction CSP3
0.57
Chiral centers
0.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
JAK
JAK1
JAK2
Pathway
Epigenetics
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Angiogenesis
Chromatin/Epigenetic
Stem Cells
Tyrosine Kinase/Adaptors
Recommended Cell Concentration
1 uM
Source data
