Molecular Details
DICL_CP_0308097
- 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308097
PubChem CID
Molecular Formula
C8H11NS Molecular Weight
153.25 g/mol
Synonyms/Alias
[62539-83-7; 7-methyl-4;5;6;7-tetrahydrothieno[2;3-c]pyridine; 7-methyl-4H;5H;6H;7H-thieno[2;3-c]pyridine; CHEMBL21477; 7-Methyl-4;5;6;7-tetrahydro-thieno[2;3-c]pyridine; SCHEMBL4709088; DTXSID2056152...
InChI Key
NDKKMCDMZGOMPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NS/c1-6-8-7(2-4-9-6)3-5-10-8/h3,5-6,9H,2,4H2,1H3
IUPAC Name
7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CAS Number
62539-83-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 22 0 0 0 0 0 0 0 0999 V2000
-2.3575 1.0844 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2303 0.2605 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1150 0.815...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >30000 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
10
Rotatable Bonds
0
logP
1.9548
Complexity
44.4407
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2