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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N2O
Molecular Weight 230.3055
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRL-54443

SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(O)C=C3

InChI

InChIKey=WKNFADCGOAHBPG-UHFFFAOYSA-N
InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H18N2O
Molecular Weight 230.3055
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

BRL-54443 is a 5-HT1E and 5-HT1F receptor agonist with pKi of 8.7 and 9.25, respectively, with a weak binding affinity for 5-HT1A, 5-HT1B, 5-HT1D receptors. BRL-54443 (3-300 ug/paw) significantly reduced formalin-induced flinching in rats, indicating that it could be used as a therapeutic strategy to reduce inflammatory pain..

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
9.25 null [pKi]
8.7 null [pKi]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Cats: 0.003, 0.03, 0.3 and 3 mg kg-1, s.c
Route of Administration: Other
In Vitro Use Guide
BRL-54443 (1 uM) mediated the inhibition of forskolin-stimulated cAMP production in guinea pig DG/CA1 membranes.
Substance Class Chemical
Record UNII
Q2DH1CHI0Y
Record Status Validated (UNII)
Record Version