delgocitinib   Click here for help

GtoPdb Ligand ID: 9619

Synonyms: Anzupgo® | Corectim® | ent-60 [5] | JTE-052 | JTE052
Approved drug PDB Ligand Immunopharmacology Ligand
delgocitinib is an approved drug (Japan (2020), EMA (2024))
Compound class: Synthetic organic
Comment: Delgocitinib (JTE-052) is an ATP-competitive pna-Janus kinase (JAK) inhibitor in development for anti-inflammatory potential [6]. The chemical structure is disclosed in [5]. The pharmacology of JTE-052 was previously reported in [6]. 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 [4]. 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.
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species

delgocitinib is commercially available from our sponsors

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 88.91
Molecular weight 310.15
XLogP 1.25
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES N#CCC(=O)N1CC(C21CCN(C2)c1ncnc2c1cc[nH]2)C
Isomeric SMILES N#CCC(=O)N1C[C@@H]([C@]21CCN(C2)c1ncnc2c1cc[nH]2)C
InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
InChI Key LOWWYYZBZNSPDT-ZBEGNZNMSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
No information available.
Summary of Clinical Use Click here for help
The developer's (Japan Tobacco Inc.) pipeline update in May 2017 listed JTE-052 as being in Phase 2 clinical development. In January 2020 topical delgocitinib was approved in Japan, for the treatment of atopic dermatitis [2], with Phase 3 results being published by Nakagawa et al. 3 months later [3]. In Europe the EMA approved delgocitinib (Anzupgo®) as a treatment for moderate/severe chronic hand eczema in September 2024.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03683719 Phase 2b Dose-ranging Trial to Evaluate Delgocitinib Cream 1, 3, 8, and 20 mg/g Compared to Delgocitinib Cream Vehicle Over a 16-week Treatment Period in Adult Subjects With Chronic Hand Eczema Phase 2 Interventional LEO Pharma
NCT02664805 Proof of Concept, Twice Daily Applications of LEO 124249 Ointment in the Treatment of Chronic Hand Eczema Phase 2 Interventional LEO Pharma 7
NCT05332366 A Trial to Assess the Effect of Delgocitinib Cream 20 mg/g on the Molecular Signature, Safety, and Efficacy in Adults With Frontal Fibrosing Alopecia Phase 2 Interventional LEO Pharma
NCT05355818 Efficacy and Safety of Delgocitinib Cream in Adolescents 12-17 Years of Age With Moderate to Severe Chronic Hand Eczema Phase 3 Interventional LEO Pharma
NCT06004050 A Trial to Evaluate Efficacy, Safety, and Pharmacokinetics of Delgocitinib Cream in Chinese Adults and Adolescents with Moderate to Severe Chronic Hand Eczema Phase 3 Interventional LEO Pharma
NCT04871711 Efficacy and Safety of Delgocitinib Cream in Adults With Moderate to Severe Chronic Hand Eczema Phase 3 Interventional LEO Pharma 1
NCT04872101 Efficacy and Safety of Delgocitinib Cream in Adults With Moderate to Severe Chronic Hand Eczema (DELTA 2) Phase 3 Interventional LEO Pharma 1