Molecular Details
DICL_CP_0342528
- 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0342528
PubChem CID
Molecular Formula
C21H27NO3 Molecular Weight
341.451 g/mol
Synonyms/Alias
[193359-26-1; Co-101244; Co 101244; 1-(2-(4-hydroxyphenoxy)ethyl)-4-(4-methylbenzyl)piperidin-4-ol; CHEMBL317229; Q85IYK36S4; RO-63-1908; 1-(2-(4-Hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-4-pip...
InChI Key
VKMFDKYCIKEDMR-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,...
IUPAC Name
1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
CAS Number
193359-26-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
52 54 0 0 0 0 0 0 0 0999 V2000
-6.9151 -2.3592 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8318 -1.3275 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7512 -1.339...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2B
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 5 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
4 °C
Test Method
Binding assay ([3H] Ro-25,6981)
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
25
Rotatable Bonds
6
logP
3.149
Complexity
99.1086
TPSA (Ų)
52.93
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
3