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Details

Stereochemistry ACHIRAL
Molecular Formula C25H27N5O2
Molecular Weight 429.5142
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Evobrutinib

SMILES

NC1=C(C(NCC2CCN(CC2)C(=O)C=C)=NC=N1)C3=CC=C(OC4=CC=CC=C4)C=C3

InChI

InChIKey=QUIWHXQETADMGN-UHFFFAOYSA-N
InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)

HIDE SMILES / InChI

Description

Evobrutinib is a highly selective, irreversible inhibitor of Bruton's tyrosine kinase (BTK). It potently inhibits BCR- and Fc receptor-mediated signaling and, thus, subsequent activation and function of B cells and innate immune cells such as monocytes and basophils. Evobrutinib demonstrated effectivity in autoimmune disease preclinical models. Evobrutinib is being developed by Merck Serono for the treatment of various autoimmune disorders.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
9.0 nM [IC50]

PubMed

Sample Use Guides

In Vivo Use Guide
double-blind, randomized, phase 2 trial, we assigned patients with relapsing multiple sclerosis to one of five groups: placebo, evobrutinib (at a dose of 25 mg once daily, 75 mg once daily, or 75 mg twice daily), or open-label dimethyl fumarate (DMF) as a reference.
Route of Administration: Oral