Molecular Details
DICL_CP_0313437
- 7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313437
PubChem CID
Molecular Formula
C13H13NS Molecular Weight
215.321 g/mol
Synonyms/Alias
[CHEMBL281568; SCHEMBL12760984; BDBM50017042; 7-phenyl-4H;5H;6H;7H-thieno[2;3-c]pyridine; EN300-1075670; 7-Phenyl-4;5;6;7-tetrahydro-thieno[2;3-c]pyridine; 120086-43-3]
InChI Key
IQLLTWUYCZCIMV-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NS/c1-2-4-10(5-3-1)12-13-11(6-8-14-12)7-9-15-13/h1-5,7,9,12,14H,6,8H2
IUPAC Name
7-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CAS Number
120086-43-3
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
2.4444 1.6493 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 1.9746 1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 1.540...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 8800 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