Molecular Details
DICL_CP_0313425
- (2S)-2-amino-3-naphthalen-2-ylpropanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313425
PubChem CID
Molecular Formula
C13H13NO2 Molecular Weight
215.252 g/mol
Synonyms/Alias
[3-(2-Naphthyl)-L-alanine; 58438-03-2; (S)-2-Amino-3-(naphthalen-2-yl)propanoic acid; l-2-naphthylalanine; H-2-Nal-OH; (2S)-2-amino-3-naphthalen-2-ylpropanoic acid; L-3-(2-Naphthyl)-alanine; BETA-(2-N...
InChI Key
JPZXHKDZASGCLU-LBPRGKRZSA-N
InChI
InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
IUPAC Name
(2S)-2-amino-3-naphthalen-2-ylpropanoic acid
CAS Number
138774-94-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
16 17 0 0 0 0 0 0 0 0999 V2000
-4.9199 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6641 1.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2562 1...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 5300 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 7.2
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Embryonic mouse hippocampal cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
3
logP
1.7942
Complexity
63.2632
TPSA (Ų)
63.32
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2