Molecular Details
DICL_CP_0309958
- 7-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309958
PubChem CID
Molecular Formula
C10H15NS Molecular Weight
181.304 g/mol
Synonyms/Alias
[CHEMBL22133; BDBM50017050; 7-Isopropyl-4;5;6;7-tetrahydro-thieno[2;3-c]pyridine]
InChI Key
ZCNMMQMJTOQMAF-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NS/c1-7(2)9-10-8(3-5-11-9)4-6-12-10/h4,6-7,9,11H,3,5H2,1-2H3
IUPAC Name
7-propan-2-yl-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
27 28 0 0 0 0 0 0 0 0999 V2000
1.7553 0.4676 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6505 0.9049 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9841 0.662...
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
12
Rotatable Bonds
1
logP
2.5909
Complexity
53.6047
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2