Molecular Details
DICL_CP_0307114
- (E)-4-aminobut-2-enoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307114
PubChem CID
Molecular Formula
C4H7NO2 Molecular Weight
101.105 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FMKJUUQOYOHLTF-OWOJBTEDSA-N
InChI
InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
IUPAC Name
(E)-4-aminobut-2-enoic 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
14 13 0 0 0 0 0 0 0 0999 V2000
-2.1655 0.3498 0.7273 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5692 -0.2177 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0947 0.053...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit rho-1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 400 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
not mention
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
7
Rotatable Bonds
2
logP
-0.4141
Complexity
25.8302
TPSA (Ų)
63.32
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0