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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30ClFN2O
Molecular Weight 452.991
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-424887

SMILES

C[C@H](N(C)C(=O)CC1(CCN(C)CC1)C2=CC=C(F)C=C2)C3=C4C=CC=CC4=CC(Cl)=C3

InChI

InChIKey=DRXBWLBZWAJIEF-IBGZPJMESA-N
InChI=1S/C27H30ClFN2O/c1-19(25-17-22(28)16-20-6-4-5-7-24(20)25)31(3)26(32)18-27(12-14-30(2)15-13-27)21-8-10-23(29)11-9-21/h4-11,16-17,19H,12-15,18H2,1-3H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30ClFN2O
Molecular Weight 452.991
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

GlaxoSmithKline was developing GSK-424887as a dual antagonist of the human neurokinin receptor 1 and inhibitor of the serotonin transporter. GSK 424887 participated in phase I clinical trials for the treatment of depressive disorder and anxiety disorder. However, further development of GSK 424887 apparently was discontinued.

Originator

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
GSK424887 2mg, 10mg, 50mg, 100mg capsule.Once daily
Route of Administration: Oral
Substance Class Chemical
Record UNII
IYI99KCF2T
Record Status Validated (UNII)
Record Version