Details of the Drug

General Information of Drug (ID: DM8J29L)

Drug Name
Abrocitinib
Synonyms PF-04965842
Indication
Disease Entry ICD 11 Status REF
Atopic dermatitis EA80 Approved [1]
Lupus 4A40 Phase 2 [2]
Affected Organisms
Humans and other mammals
ATC Code
D11AH08: Abrocitinib
D11AH: Agents for dermatitis, excluding corticosteroids
D11A: OTHER DERMATOLOGICAL PREPARATIONS
D11: OTHER DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.42
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H21N5O2S
IUPAC Name
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide
Canonical SMILES
CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3
InChI
InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)
InChIKey
IUEWXNHSKRWHDY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
78323835
CAS Number
1622902-68-4
UNII
73SM5SF3OR
DrugBank ID
DB14973
TTD ID
D05PCM
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Janus kinase 1 (JAK-1) TT6DM01 JAK1_HUMAN Inhibitor [1]
Janus kinase 2 (JAK-2) TTRMX3V JAK2_HUMAN Inhibitor [1]
Janus kinase 3 (JAK-3) TTT7PJU JAK3_HUMAN Inhibitor [1]
Tyrosine-protein kinase (PTK) TTJSQEF NOUNIPROTAC Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2023. Application Number: 213871.
2 ClinicalTrials.gov (NCT02201524) Study to Evaluate PF-04965842 in Patients With Moderate to Severe Psoriasis. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)