Molecular Details
DICL_CP_0360960
- 2-[(3-fluorophenyl)methyl]-1-[(4-methoxyphenoxy)methyl]-1,4-dihydropyrrolo[1,2-a]pyrazin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0360960
PubChem CID
Molecular Formula
C22H21FN2O3 Molecular Weight
380.419 g/mol
Synonyms/Alias
[CHEMBL4649476; SCHEMBL24049393; BDBM50545715]
InChI Key
AQEMZTCFTYISLD-UHFFFAOYSA-N
InChI
InChI=1S/C22H21FN2O3/c1-27-18-7-9-19(10-8-18)28-15-21-20-6-3-11-24(20)14-22(26)25(21)13-16-4-2-5-17(...
IUPAC Name
2-[(3-fluorophenyl)methyl]-1-[(4-methoxyphenoxy)methyl]-1,4-dihydropyrrolo[1,2-a]pyrazin-3-one
CAS Number
2488764-06-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 31 0 0 0 0 0 0 0 0999 V2000
8.1981 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1970 1.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7290 0...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2D
Uniprot Accession Number
Function
Positive Allosteric Modulator
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 3162 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
40 mV mV
Temperature
23 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
28
Rotatable Bonds
6
logP
3.7983
Complexity
102.612
TPSA (Ų)
43.7
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
4