General
Preferred name
delgocitinib
Synonyms
LEO 124249 ()
JTE-052 ()
JTE-052A ()
LEO-124249A ()
LEO 124249A ()
LEO-124249 ()
P&D ID
PD060755
CAS
1263774-59-9
Tags
available
drug
Approved by
PMDA
First approval
2020
Drug indication
Eczema
Asthma
Drug Status
investigational
approved
Max Phase
Phase 3
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 an ATP-competitive pna-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)
Compound Sets
9
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
External IDs
20
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)
MOA
JAK inhibitor
Pathway
Epigenetics
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Target
JAK
Source data