Molecular Details
DICL_CP_0336355
- 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0336355
PubChem CID
Molecular Formula
C21H27NO2 Molecular Weight
325.452 g/mol
Synonyms/Alias
[CHEMBL113830; (+/-)-ifenprodil; (S;R)-IFENPRODIL; 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol; (+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol]; BDBM50080017; 4-((1S;2R)-2-(4...
InChI Key
UYNVMODNBIQBMV-IIBYNOLFSA-N
InChI
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16...
IUPAC Name
4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CAS Number
23210-56-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
51 53 0 0 0 0 0 0 0 0999 V2000
-2.4455 -2.4832 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3490 -1.4502 0.2798 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1272 -0.382...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2B
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 10 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
37 °C
Test Method
Binding assay
Test Species
L(tk-) cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
ifenprodil binding site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
5
logP
3.7688
Complexity
96.9716
TPSA (Ų)
43.7
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3