Molecular Details
DICL_CP_0316152
- 1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316152
PubChem CID
Molecular Formula
C16H17NO Molecular Weight
239.318 g/mol
Synonyms/Alias
[1-(4-methoxyphenyl)-1;2;3;4-tetrahydroisoquinoline; 59224-74-7; CHEMBL21484; 1-(4-METHOXY)PHENYL-1;2;3;4-TETRAHYDRO-ISOQUINOLINE; SCHEMBL3065108; 1-(4-Methoxy-phenyl)-1;2;3;4-tetrahydro-isoquinoline;...
InChI Key
FSFZUYODRIULLG-UHFFFAOYSA-N
InChI
InChI=1S/C16H17NO/c1-18-14-8-6-13(7-9-14)16-15-5-3-2-4-12(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3
IUPAC Name
1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number
549-68-8
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
5.7135 0.0862 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5307 0.8583 1.0998 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2820 0.533...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 2500 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
2.9303
Complexity
72.9857
TPSA (Ų)
21.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3