General
Preferred name
OCLACITINIB
Synonyms
PF-03394197 ()
PF-03394197 maleate ()
OCLACITINIB MALEATE ()
Oclacitinib (monomaleate) ()
PF-03394197 (monomaleate) ()
Oclacitinib?maleate ()
JAK-I ()
JAKI ()
PF 03394197 ()
PF-03394197-11 ()
Apoquel ()
PF 03394197-11 ()
Prolevare ()
Oclacitinib-13C-d3 ()
P&D ID
PD017398
CAS
1640292-55-2
1208319-26-9
2750534-84-8
Tags
available
drug candidate
Approved by
FDA
Drug Status
vet_approved
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Oclacitinib is an oral pan-Janus kinase (JAK) inhibitor. It is approved as a veterinary drug for treating nonspecific allergic dermatitis and atopic dermatitis in dogs . We drew the structure as depicted in the WHO INN record for oclacitinib. SMILES generated from the INN structure resolve to PubChem CID 44631938 through structure match, but note that this CID is a tautomer/isomer without specified stereochemistry. The oclacitinib structure also resolves to example 1A claimed in patent WO2010020905, in which the possibility of cis/trans isomers is noted . Administered as oclacitinib maleate (PF-03394197-11, PubChem CID 44631937). (GtoPdb)
DESCRIPTION Oclacitinib is an pan-Janus kinase (JAK) inhibitor. It is approved as a veterinary drug for treating nonspecific allergic dermatitis and atopic dermatitis in dogs. We drew the structure as depicted in the WHO INN record for oclacitinib. SMILES generated from the INN structure resolve to PubChem CID 44631938 through structure match, but note that this CID is a tautomer/isomer without specified stereochemistry. The oclacitinib structure also resolves to example 1A claimed in patent WO2010020905, in which the possibility of cis/trans isomers is noted . Administered as oclacitinib maleate (PF-03394197-11, PubChem CID 44631937).
DESCRIPTION Oclacitinib is a novel JAK inhibitor. Oclacitinib is most potent at inhibiting JAK1 (IC50=10 nM).
PRICE 44
DESCRIPTION Oclacitinib maleate (PF-03394197 maleate) is a novel JAK inhibitor. Oclacitinib maleate (PF-03394197 maleate) is most potent at inhibiting JAK1 (IC50=10 nM).
PRICE 95
DESCRIPTION Oclacitinib (PF-03394197)(PF03394197) is a potent and selective JAKs inhibitor with IC50 of 10-99 nM; not inhibit a panel of 38 non-JAK kinases (IC50 's > 1000 nM). (TargetMol Bioactive Compound Library)
DESCRIPTION Oclacitinib maleate (PF-03394197 maleate) is a novel inhibitor of JAK family members, with IC50 values ranging from 10 to 99 nM, and JAK1-dependent cytokines, with IC50 ranging from 36 to 249 nM, while not inhibiting a panel of 38 non-JAK kinases. (TargetMol Bioactive Compound Library)
Compound Sets
10
AdooQ Bioactive Compound Library
A16640
Cayman Chemical Bioactives
18722
28808
ChEMBL Drugs
CHEMBL2103874
CHEMBL2105739
DrugCentral
5589
EU-OPENSCREEN Bioactive Compound Library
EOS100849
Guide to Pharmacology
9696
MedChem Express Bioactive Compound Library
HY-13577
HY-13577A
PKIDB
Selleckchem Bioactive Compound Library
oclacitinib-maleate
TargetMol Bioactive Compound Library
T2012
T6914
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
337.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
1.5
TPSA
90.98
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
JAKs
JAK
JAK1
JAK1-dependent
JAK2
JAK3
TYK2
MOA
JAK inhibitor
Pathway
Angiogenesis
Chromatin/Epigenetic
JAK/STAT Signaling
Stem Cells
Tyrosine Kinase/Adaptors
Epigenetics
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Source data