Delgocitinib
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Delgocitinib
- DrugBank Accession Number
- DB16133
- Background
Delgocitinib is 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
- 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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- 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
- ATC Codes
- D11AH11 — Delgocitinib
- Drug Categories
- 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-[(3S,4R)-3-methyl-6-{7H-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
- External Links
- ChemSpider
- 59718502
- ChEMBL
- CHEMBL4297507
- ZINC
- ZINC000117625213
- PDBe Ligand
- FHX
- PDB Entries
- 7c3n
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Hand Eczema (CHE) 4 3 Recruiting Treatment Chronic Hand Eczema (CHE) 2 2 Completed Treatment Alopecia Areata (AA) 1 2 Completed Treatment Atopic Dermatitis 1 2 Completed Treatment Chronic Hand Eczema (CHE) 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0091000000-ad07acc452e997b3c32b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0039000000-c0210c0df76deb052fdf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-1092000000-5c80e76768400a2004f6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0291000000-c8d8e60be88c1e4bbcb7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-5791000000-26f16433392e5ffbabc6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-002f-1590000000-dc1299ee256e4baa491f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55