Molecular Details
DICL_CP_0314101
- 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314101
PubChem CID
Molecular Formula
C13H19NS Molecular Weight
221.369 g/mol
Synonyms/Alias
[CHEMBL418745; BDBM50017051; 6-Allyl-7-isopropyl-4;5;6;7-tetrahydro-thieno[2;3-c]pyridine]
InChI Key
IUOZYCSUAHKCCP-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NS/c1-4-7-14-8-5-11-6-9-15-13(11)12(14)10(2)3/h4,6,9-10,12H,1,5,7-8H2,2-3H3
IUPAC Name
7-propan-2-yl-6-prop-2-enyl-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
34 35 0 0 0 0 0 0 0 0999 V2000
-1.6337 -2.3078 1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -1.5768 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7593 -2.617...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 8500 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
3
logP
3.4893
Complexity
67.372
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2