Molecular Details
DICL_CP_0311312
- 6-methyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311312
PubChem CID
Molecular Formula
C11H17NS Molecular Weight
195.331 g/mol
Synonyms/Alias
[CHEMBL283377; BDBM50017034; 7-Isopropyl-6-methyl-4;5;6;7-tetrahydro-thieno[2;3-c]pyridine]
InChI Key
QKQIZBXKGOBGFZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NS/c1-8(2)10-11-9(5-7-13-11)4-6-12(10)3/h5,7-8,10H,4,6H2,1-3H3
IUPAC Name
6-methyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 31 0 0 0 0 0 0 0 0999 V2000
-1.9371 1.0428 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9228 0.4551 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4830 1.493...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 17000 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
13
Rotatable Bonds
1
logP
2.9331
Complexity
58.232
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2