NAV

Delgocitinib

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Delgocitinib
DrugBank Accession Number
DB16133
Background

Delgocitinibis under investigation in clinical trial 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).

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 310.361
Monoisotopic: 310.154209224
Chemical Formula
C16H18N6O
Synonyms
  • Delgocitinib
External IDs
  • JTE-052
  • JTE-052A
  • LEO-124249
  • LEO-124249A

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9L0Q8KK220
CAS number
1263774-59-9
InChI Key
LOWWYYZBZNSPDT-ZBEGNZNMSA-N
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
IUPAC Name
3 - ((3 s, 4 r) 3-methyl-6 - {7 h-pyrrolo [2, 3 - d] pyrimidin -4-yl}-1,6-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
SMILES
C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)C1=C2C=CNC2=NC=N1

References

General References
Not Available
ChemSpider
59718502
ChEMBL
CHEMBL4297507
ZINC
ZINC000117625213
PDBe Ligand
FHX
PDB项
7c3n

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
3 Completed Treatment Chronic Hand Eczema (CHE) 2
3 Enrolling by Invitation Treatment Chronic Hand Eczema (CHE) 1
3 Recruiting Treatment Chronic Hand Eczema (CHE) 2
2 Active Not Recruiting Treatment Frontal Fibrosing Alopecia 1
2 Completed Treatment Alopecia Areata (AA) 1
2 Completed Treatment Atopic Dermatitis 1
2 Completed Treatment Chronic Hand Eczema (CHE) 1
2 Completed Treatment Hand Eczema 1
2 Completed Treatment Intertriginous psoriasis 1
2 Terminated Treatment Alopecia Areata (AA) 1

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
Property Value Source
Water Solubility 0.552 mg/mL ALOGPS
logP 1.29 ALOGPS
logP 0.65 Chemaxon
logS -2.8 ALOGPS
pKa (Strongest Acidic) 9.14 Chemaxon
pKa (Strongest Basic) 6.43 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 88.91 Å2 Chemaxon
Rotatable Bond Count 2 Chemaxon
Refractivity 85.89 m3·mol-1 Chemaxon
Polarizability 32.56 Å3 Chemaxon
Number of Rings 4 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55