Deucravacitinib hydrochlorideProduct ingredient for Deucravacitinib
- Name
- Deucravacitinib hydrochloride
- Drug Entry
- Deucravacitinib
Deucravacitinib is a novel oral selective tyrosine kinase 2 (TYK2) inhibitor. Unlike other Janus kinase 1/2/3 inhibitors that bind to the conserved active domain of these non-receptor tyrosine kinases, deucravacitinib binds to the regulatory domain of TYK2 with high selectivity to this therapeutic target.1,2 This selectivity towards TYK2 may lead to an improved safety profile of deucravacitinib, as nonselective JAK inhibitors are associated with a range of adverse effects such as altered cholesterol and triglyceride levels and liver and kidney dysfunction.2
Deucravacitinib was first approved by the FDA in September 2022 to treat moderate-to-severe plaque psoriasis.5 It was later approved by Health Canada in November 2022 6 and by the European Medicines Agency in March 2023.8
- Accession Number
- DBSALT003167
- Structure
Structure for Deucravacitinib hydrochloride (DBSALT003167)
- Synonyms
- Deucravacitinib HCl
- External IDs
- BMS-986165 hydrochloride
- UNII
- 95C5558CF4
- CAS Number
- 1609392-28-0
- Weight
- Average: 461.93
Monoisotopic: 461.1769946 - Chemical Formula
- C20H23ClN8O3
- InChI Key
- LILQGPVDQZORJG-NIIDSAIPSA-N
- InChI
- InChI=1S/C20H22N8O3.ClH/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18;/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29);1H/i1D3;
- IUPAC Name
- 6-cyclopropaneamido-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-(2H3)methylpyridazine-3-carboxamide hydrochloride
- SMILES
- Cl.[2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1
- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.159 mg/mL ALOGPS logP 1.8 ALOGPS logP 2.1 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 11.09 Chemaxon pKa (Strongest Basic) 2.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 135.95 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 138.38 m3·mol-1 Chemaxon Polarizability 44.17 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon