Molecular Details
DICL_CP_0307539
- 3-iminopropyl(methyl)phosphinic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307539
PubChem CID
Molecular Formula
C4H10NO2P Molecular Weight
135.103 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
CLJLMKDNJNIXPO-UHFFFAOYSA-N
InChI
InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)
IUPAC Name
3-iminopropyl(methyl)phosphinic acid
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
8 7 0 0 0 0 0 0 0 0999 V2000
-2.8047 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4644 0.0089 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
-0.7909 1...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >10000 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
37 ℃
Test Method
Binding assay
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
8
Rotatable Bonds
3
logP
0.9263
Complexity
34.017
TPSA (Ų)
61.15
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0