Abrocitinib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Abrocitinib
Accession Number
DB14973
Description

Abrocitinib is under investigation in clinical trial NCT03796676 (JAK1 Inhibitor With Medicated Topical Therapy in Adolescents With Atopic Dermatitis).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 323.42
Monoisotopic: 323.14159611
Chemical Formula
C14H21N5O2S
Synonyms
  • PF-04965842

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

Categories

Drug Categories
Not Available
Classification
Not classified

Chemical Identifiers

UNII
73SM5SF3OR
CAS number
1622902-68-4
InChI Key
IUEWXNHSKRWHDY-PHIMTYICSA-N
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)/t10-,11+
IUPAC Name
N-[(1s,3s)-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]cyclobutyl]propane-1-sulfonamide
SMILES
CCCS(=O)(=O)N[[email protected]]1C[[email protected]](C1)N(C)C1=C2C=CNC2=NC=N1

References

General References
Not Available
ChemSpider
58824300
BindingDB
159748
ChEMBL
CHEMBL3655081
PDBe Ligand
D7D
Wikipedia
Abrocitinib
PDB Entries
6bbu / 6bbv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentAtopic Dermatitis (AD) / Dermatitis, Eczematous / Genetic Diseases, Inborn / Hypersensitivity / Hypersensitivity, Immediate / Immune System Diseases / Skin Diseases / Skin Diseases, Eczematous / Skin Diseases, Genetic / Skin Inflammation1
3CompletedTreatmentAtopic Dermatitis (AD)3
3CompletedTreatmentAtopic Dermatitis (AD) / Dermatitis, Eczematous / Genetic Diseases, Inborn / Hypersensitivity / Hypersensitivity, Immediate / Immune System Diseases / Skin Diseases / Skin Diseases, Eczematous / Skin Diseases, Genetic / Skin Inflammation1
3Enrolling by InvitationTreatmentAtopic Dermatitis (AD)1
3RecruitingTreatmentAtopic Dermatitis (AD)1
2CompletedTreatmentAtopic Dermatitis (AD)1
2RecruitingTreatmentAtopic Dermatitis (AD)1
2TerminatedTreatmentPsoriasis Vulgaris (Plaque Psoriasis)1
1CompletedBasic ScienceAtopic Dermatitis (AD)1
1CompletedBasic ScienceHealthy Volunteers2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.42 mg/mLALOGPS
logP0.93ALOGPS
logP0.83ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)11.47ChemAxon
pKa (Strongest Basic)6.45ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area90.98 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity86 m3·mol-1ChemAxon
Polarizability34.18 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:38 / Updated on June 12, 2020 10:53

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates