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Chemical structure of Elsubrutinib

GC64819

Elsubrutinib

Also known as 4-[(3S)-1-prop-2-enoylpiperidin-3-yl]-1H-indole-7-carboxamide

Elsubrutinib (ABBV-105) is an orally active, potent, selective and irreversible Bruton's tyrosine kinase (BTK) inhibitor。The IC50 of Elsubrutinib for BTK catalytic domain is 0·18 μM

ChemicalCAS1643570-24-4MW297.35FormulaC17H19N3O2
CAS number
1643570-24-4
Molecular weight
297.35
Formula
C17H19N3O2
InChIKey
UNHZLHSLZZWMNP-LLVKDONJSA-N
Catalogue number
GC64819
Brand
GLPBIO
Computed properties PubChem CID 117773770 · XLogP 1.6 · TPSA 79.2 Ų · H-bond donors 2
XLogP
1.6
TPSA
79.2 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22

SMILES C=CC(=O)N1CCC[C@H](C1)C2=C3C=CNC3=C(C=C2)C(=O)N

Computed descriptors from PubChem (CID 117773770), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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