Molecular Details
DICL_CP_0312741
- 6-ethyl-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312741
PubChem CID
Molecular Formula
C12H19NS Molecular Weight
209.358 g/mol
Synonyms/Alias
[CHEMBL283378; BDBM50017057; 6-Ethyl-7-isopropyl-4;5;6;7-tetrahydro-thieno[2;3-c]pyridine]
InChI Key
HDKWPALIOLJGEH-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NS/c1-4-13-7-5-10-6-8-14-12(10)11(13)9(2)3/h6,8-9,11H,4-5,7H2,1-3H3
IUPAC Name
6-ethyl-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
33 34 0 0 0 0 0 0 0 0999 V2000
-2.5409 -2.4512 0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6459 -1.2504 1.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 -1.041...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 12000 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
14
Rotatable Bonds
2
logP
3.3232
Complexity
62.849
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2