Molecular Details
DICL_CP_0313438
- 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313438
PubChem CID
Molecular Formula
C13H13NS Molecular Weight
215.321 g/mol
Synonyms/Alias
[1-(thiophen-2-yl)-1;2;3;4-tetrahydroisoquinoline; 120086-35-3; 1-Thiophen-2-yl-1;2;3;4-tetrahydro-isoquinoline; 1-(2-thienyl)-1;2;3;4-tetrahydroisoquinoline; 1-thiophen-2-yl-1;2;3;4-tetrahydroisoquin...
InChI Key
FHDLSGWIMXIQQV-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9,13-14H,7-8H2
IUPAC Name
1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
CAS Number
120086-35-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 30 0 0 0 0 0 0 0 0999 V2000
-2.1537 -1.6011 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0438 -2.4988 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2542 -1.986...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 7600 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
15
Rotatable Bonds
1
logP
2.9832
Complexity
64.3107
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3