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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N6O2
Molecular Weight 404.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMICERFONT

SMILES

COC1=CC(C)=C(C=C1)N2CCC3=C2N=C(C)C=C3N4C=CC(=N4)N5CCNC5=O

InChI

InChIKey=JFHJGXQFESYQGY-UHFFFAOYSA-N
InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)

HIDE SMILES / InChI
Molecular Formula C22H24N6O2
Molecular Weight 404.465
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

Emicerfont (GW876008) is a nonpeptide vcorticotropin-releasing factor type 1 (CRF1) receptor antagonist. It was in clinical trials for the treatment of anxiety disorders, irritable bowel syndrome and major depressive disorder however development of emicerfont has been discontinued.

CNS Activity

CNS Active
3,913

Originator

GlaxoSmithKline
193

Approval Year

Unknown
139,594

Targets

Primary TargetPharmacologyConditionPotency
Corticotropin-releasing factor receptor 1
3
Antagonist
2,778
 66.0 nM [IC50]

PubMed

Patents

20070004708
1

Sample Use Guides

In Vivo Use Guide
a single-center, randomized, double-blind, 3-period crossover study of 11 women with irritable bowel syndrome and 15 healthy women (controls) given a single oral dose (20 mg or 200 mg) of emicerfont (GW876008) or placebo
Route of Administration: Oral
Substance Class Chemical
Record UNII
OJ8EG4264P
Record Status Validated (UNII)
Record Version
NIH
NCATS
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