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Chemical structure of Deucravacitinib

GC31659

Deucravacitinib

Also listed as Tyk2-IN-4 (BMS-986165)

Tyk2-IN-4 (BMS-986165) (BMS-986165) is a highly selective, orally bioavailable allosteric TYK2 inhibitor for the treatment of autoimmune diseases, which selectively binds to TYK2 pseudokinase (JH2) domain (IC50=1·0 nM) and blocks receptor-mediated Tyk2 activation by stabilizing the regulatory JH2 domain

ChemicalCAS1609392-27-9MW425.46FormulaC20H19D3N8O3
CAS number
1609392-27-9
Molecular weight
425.46
Formula
C20H19D3N8O3
Solubility
DMSO ： 62·5 mg/mL (146·90 mM)
InChIKey
BZZKEPGENYLQSC-FIBGUPNXSA-N
Catalogue number
GC31659
Brand
GLPBIO
Computed properties PubChem CID 134821691 · XLogP 1.2 · TPSA 136 Ų · H-bond donors 3
XLogP
1.2
TPSA
136 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

SMILES [2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4

Computed descriptors from PubChem (CID 134821691), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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