Molecular Details
DICL_CP_0307072
- 4-aminobutan-1-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307072
PubChem CID
Molecular Formula
C4H11NO Molecular Weight
89.138 g/mol
Synonyms/Alias
[4-Amino-1-butanol; 4-aminobutan-1-ol; 13325-10-5; 4-Aminobutanol; 1-BUTANOL; 4-AMINO-; 4-hdyroxybutylamine; 4-AMINO-BUTAN-1-OL; MFCD00008230; 4-amino-butanol; 4amino-1-butanol; 4-Aminobutanol-1; 4-hy...
InChI Key
BLFRQYKZFKYQLO-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
IUPAC Name
4-aminobutan-1-ol
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
17 16 0 0 0 0 0 0 0 0999 V2000
0.2234 -0.4702 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6246 0.3830 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0533 -0.157...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit (ρ1)
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 3910000 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
−60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
6
Rotatable Bonds
3
logP
-0.2824
Complexity
25.3742
TPSA (Ų)
46.25
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0