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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N3O2
Molecular Weight 309.3624
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS-20625

SMILES

COC1=CC=C(C=C1)N2N=C3C(=CNC4=C3CCCCC4)C2=O

InChI

InChIKey=XRUUVUYJUULCBQ-UHFFFAOYSA-N
InChI=1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,19H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H19N3O2
Molecular Weight 309.3624
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

CGS-20625 is a potent and selective ligand for the central benzodiazepine receptor. It acts as a partial agonist of GABAA channel in vitro and produces anxiolytic and anticonvulsant effects in vivo. The drug has low bioavailability so its clinical applications are limited, and it is mainly used as a tool compound.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.3 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
In clinical studies of CGS-20625 pharmacokinetics, the drug was administered orally as a powder (20 mg), as PEG 400 solution or in gelatin capsules.
Route of Administration: Oral
In Vitro Use Guide
The affinity of CGS-20625 with respect to central benzodiazepine receptor was measured using 0.2 nM [3H]FNZ as a radioligand. Receptors from rat forebrain were incubated with Tris-cation buffer at 23°C for 45 min. Non-specific activity was measured using 1mM GABA.
Substance Class Chemical
Record UNII
K9Q4R9S81O
Record Status Validated (UNII)
Record Version