Molecular Details
DICL_CP_0307284
- 2-amino-2-methylpropane-1,3-diol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307284
PubChem CID
Molecular Formula
C4H11NO2 Molecular Weight
105.137 g/mol
Synonyms/Alias
[2-Amino-2-methyl-1;3-propanediol; 115-69-5; 2-Amino-2-methylpropane-1;3-diol; AMPD; Aminoglycol; 1;3-Propanediol; 2-amino-2-methyl-; Aminomethyl propanediol; Isobutandiol-2-amine; Ammediol; 1;1-Di(hy...
InChI Key
UXFQFBNBSPQBJW-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
IUPAC Name
2-amino-2-methylpropane-1,3-diol
CAS Number
145451-91-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 17 0 0 0 0 0 0 0 0999 V2000
0.0890 1.4419 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1796 0.1630 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 -0.823...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >100000 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 7.1
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] Kainate)
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
7
Rotatable Bonds
2
logP
-1.3116
Complexity
26.764
TPSA (Ų)
66.48
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0