Molecular Details
DICL_CP_0376902
- (3-chlorophenyl)-[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0376902
PubChem CID
Molecular Formula
C24H22ClNO3 Molecular Weight
407.897 g/mol
Synonyms/Alias
[CHEMBL4643379; BDBM50545712]
InChI Key
NLMPXVGGFDLRCJ-UHFFFAOYSA-N
InChI
InChI=1S/C24H22ClNO3/c1-28-20-9-11-21(12-10-20)29-16-23-22-8-3-2-5-17(22)13-14-26(23)24(27)18-6-4-7-...
IUPAC Name
(3-chlorophenyl)-[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]metha
CAS Number
486427-17-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 32 0 0 0 0 0 0 0 0999 V2000
8.0760 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3710 -0.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8718 -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: 7943 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
29
Rotatable Bonds
5
logP
5.1672
Complexity
113.8645
TPSA (Ų)
38.77
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
4