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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13N7
Molecular Weight 327.3427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-180204

SMILES

NC1=NNC2=NN=C(C=C12)C3=C4C=CC=CN4N=C3C5=CC=CC=C5

InChI

InChIKey=XVECMUKVOMUNLE-UHFFFAOYSA-N
InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)

HIDE SMILES / InChI

Molecular Formula C18H13N7
Molecular Weight 327.3427
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

FR 180204 is a novel and selective inhibitor of extracellular signal-regulated kinase (ERK), which may be a potential new therapy for rheumatoid arthritis. FR 180204 inhibited ERK1 and ERK2 with an IC50 value of 0.51 uM (Ki = 0.31 uM) and 0.33 uM (Ki = 0.14 uM), respectively. FR 180204 may be useful as a therapeutic agent for the treatment of cancer, immune diseases, ischemic brain injury, and obesity. In a mouse model of dengue virus (DENV) infection, FR 180204 limits hepatocyte apoptosis, reduces DENV-induced liver injury, and improves Clinical parameters.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
310.0 nM [Ki]
140.0 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Mice: In collagen-induced arthritis mice, FR 180204 (100 mg/kg, i.p., b.i.d.) significantly decreases the severity of symptoms and body weight loss.
Route of Administration: Intraperitoneal
In Vitro Use Guide
FR 180204 dose-dependently inhibited AP-1 transactivation, with an IC50 of 3.1 uM.
Substance Class Chemical
Record UNII
4C7X7GV82C
Record Status Validated (UNII)
Record Version