Molecular Details
DICL_CP_0316153
- 8-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316153
PubChem CID
Molecular Formula
C16H17NO Molecular Weight
239.318 g/mol
Synonyms/Alias
[CHEMBL442106; 8-(2-methoxyphenyl)-1;2;3;4-tetrahydroisoquinoline; SCHEMBL5086121; BDBM50017028; PD119706; 8-(2-Methoxy-phenyl)-1;2;3;4-tetrahydro-isoquinoline]
InChI Key
RVFFYFPIZYIKEY-UHFFFAOYSA-N
InChI
InChI=1S/C16H17NO/c1-18-16-8-3-2-6-14(16)13-7-4-5-12-9-10-17-11-15(12)13/h2-8,17H,9-11H2,1H3
IUPAC Name
8-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number
476-69-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
35 37 0 0 0 0 0 0 0 0999 V2000
2.1074 0.1756 -2.9842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5607 0.2728 -1.6735 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0215 -0.452...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 900 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
23 °C
Test Method
Binding assay ([3H] TCP)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
2
logP
3.0079
Complexity
73.8407
TPSA (Ų)
21.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3