Molecular Details
DICL_CP_0307400
- phosphopropyl amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307400
PubChem CID
Molecular Formula
C3H8NO2P Molecular Weight
121.076 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MQIWYGZSHIXQIU-UHFFFAOYSA-N
InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
IUPAC Name
phosphopropyl amine
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
7 6 0 0 0 0 0 0 0 0999 V2000
-3.5140 0.3095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2602 -0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9202 0...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 6600 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not specified
Temperature
37 ℃
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
3
logP
0.5081
Complexity
26.8314
TPSA (Ų)
60.16
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
0