General
Preferred name
delgocitinib
Synonyms
JTE-052 ()
Corectim(Delgocitinib) ()
LEO 124249 ()
LEO 124249A ()
LEO-124249 ()
LEO-124249A ()
JTE-052A ()
P&D ID
PD060755
CAS
1263774-59-9
Tags
available
drug
Approved by
PMDA
First approval
2020
Drug indication
atopic eczema
Eczema
Asthma
Drug Status
approved
investigational
Max Phase
3.0
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 JTE-052 is an ATP-competitive Janus kinase (JAK) inhibitor in development for anti-inflammatory potential . The article describing the pharmacology of JTE-052 fails to provide a chemical structure and refers instead to patent listings. Based on the developer's pipeline and patent claims, and on the structure submitted to the WHO for the predicted proposed INN, JTE-052 is likely to be compound 6 as claimed in patent US20140187534 . Compound 6 is the most potent (lowest IC50) optically active stereoisomer with the correct structure in the patent, although stereochemistry has not rendered unambiguously in the patent extraction, and an IUPAC name is not provided. We will update this record if necessary when the structure is formally disclosed.
DESCRIPTION Delgocitinib (JTE-052) is a specific JAK inhibitor with IC50s of 2.8, 2.6, 13 and 58 nM for JAK1, JAK2, JAK3 and Tyk2, respectively[1].
PRICE 372
DESCRIPTION Delgocitinib (JTE-052) is an ATP-competitive pan-Janus kinase (JAK) inhibitor in development for anti-inflammatory potential . The chemical structure is disclosed in . The pharmacology of JTE-052 was previously reported in . Based on the developer's pipeline and patent claims, and on the structure submitted to the WHO for the INN delgocitinib, JTE-052 is likely to be compound 6 as claimed in patent US20140187534 . Compound 6 is the most potent (lowest IC50) optically active stereoisomer with the correct structure in the patent, although stereochemistry has not rendered unambiguously in the patent extraction, and an IUPAC name is not provided. (GtoPdb)
DESCRIPTION Delgocitinib (JTE-052) is a specific JAK (Janus kinase) inhibitor with IC50 values of 2.8, 2.6, 13, and 58 nM for JAK1, JAK2, JAK3, and Tyk2 respectively. Delgocitinib is involved in various inflammatory and autoimmune diseases through JAK-dependent cytokines and can effectively suppress multiple cytokine signaling while inhibiting itching caused by cytokines. It is widely used to treat various inflammatory diseases, including autoimmune diseases and hypersensitivity reactions. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
10
Cayman Chemical Bioactives
38307
ChEMBL Drugs
CHEMBL4297507
Drug Repurposing Hub
DrugBank
DB16133
DrugCentral
5426
DrugCentral Approved Drugs
5426
DrugMAP
DM7W0JE
Guide to Pharmacology
9619
MedChem Express Bioactive Compound Library
HY-109053
TargetMol Bioactive Compound Library
T15096
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
310.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
1.3
TPSA
88.91
Fraction CSP3
0.5
Chiral centers
2.0
Largest ring
6.0
QED
0.9
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
JAK1
JAK2
JAK3
TYK2
JAK
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