Molecular Details
DICL_CP_0325944
- (2R)-2-amino-3-[(7-ethylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0325944
PubChem CID
Molecular Formula
C13H15N3O3S Molecular Weight
293.348 g/mol
Synonyms/Alias
[SCHEMBL22862176; US11466027; Compound 1b; BDBM576017; (R)-2-amino-3-[(7- ethylthieno[3,2-b]pyridine- 2- carbonyl)amino]propanoic acid]
InChI Key
VWRBMYVRTNAYKU-MRVPVSSYSA-N
InChI
InChI=1S/C13H15N3O3S/c1-2-7-3-4-15-9-5-10(20-11(7)9)12(17)16-6-8(14)13(18)19/h3-5,8H,2,6,14H2,1H3,(H...
IUPAC Name
(2R)-2-amino-3-[(7-ethylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
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
20 21 0 0 0 0 0 0 0 0999 V2000
6.3664 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8823 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3286 -0...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit NMDA1/2C/3B
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 270 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorescence assay
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
glycine site
Disease Information
Related Disease
treat neurological disorders or neuropsychiatric disorders such as depression
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US11466027
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
5
logP
1.0004
Complexity
76.9424
TPSA (Ų)
105.31
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
2