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Details

Stereochemistry ACHIRAL
Molecular Formula C19H12F4N4O2
Molecular Weight 404.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VX-702

SMILES

NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C2=C(F)C=C(F)C=C2)C3=C(F)C=CC=C3F

InChI

InChIKey=FYSRKRZDBHOFAY-UHFFFAOYSA-N
InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)

HIDE SMILES / InChI

Description

VX-702 is a highly selective inhibitor of p38α MAPK kinase, developed by Vertex Pharmaceuticals Inc in collaboration with Kissei Pharmaceuticals Co. Ltd for potential treatment of inflammation, rheumatoid arthritis and cardiovascular diseases. VX-702 was evaluated in two phase II clinical trials against rheumatoid arthritis, but its development was discontinued by Vertex.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.7 nM [Kd]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
130 ng/mL
5 mg 1 times / day steady-state, oral
VX-702 plasma
Homo sapiens
234.5 ng/mL
10 mg 1 times / day steady-state, oral
VX-702 plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
2188.7 ng × h/mL
5 mg 1 times / day steady-state, oral
VX-702 plasma
Homo sapiens
4022.6 ng × h/mL
10 mg 1 times / day steady-state, oral
VX-702 plasma
Homo sapiens

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer



Drug as victim

PubMed

Sample Use Guides

In Vivo Use Guide
In the study of rheumatoid arthritis, VX-702 was administered orally in the doses of 5 and 10 mg b.i.d.
Route of Administration: Oral
In Vitro Use Guide
In an ex vivo blood assay primed with LPS, VX-702 dose-dependently inhibited the production of IL-6, IL-1β and TNFα (IC50 = 59, 122 and 99 ng/ml, respectively).