Molecular Details
DICL_CP_0322457
- (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322457
PubChem CID
Molecular Formula
C12H13N3O3S Molecular Weight
279.321 g/mol
Synonyms/Alias
[SCHEMBL22859665; US11358971; Compound 1c; BDBM557694]
InChI Key
QRAZNSMFVGTRFM-SSDOTTSWSA-N
InChI
InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,1...
IUPAC Name
(2R)-2-amino-3-[(7-methylthieno[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
19 20 0 0 0 0 0 0 0 0999 V2000
5.1225 -2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6358 -0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1637 -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: 96 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
19
Rotatable Bonds
4
logP
0.7464
Complexity
72.3014
TPSA (Ų)
105.31
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
2