Molecular Details
DICL_CP_0307703
- 2-propylpentanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307703
PubChem CID
Molecular Formula
C8H16O2 Molecular Weight
144.214 g/mol
Synonyms/Alias
[VALPROIC ACID; 2-Propylpentanoic acid; 99-66-1; Dipropylacetic acid; 2-Propylvaleric acid; Depakene; Valproate; Depakine; Mylproin; Ergenyl; Di-n-propylacetic acid; Propylvaleric acid; Pentanoic acid...
InChI Key
NIJJYAXOARWZEE-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
IUPAC Name
2-propylpentanoic acid
CAS Number
99-66-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 25 0 0 0 0 0 0 0 0999 V2000
3.0887 0.2925 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3678 -0.7801 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9051 -0.411...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 8 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
2% inhibition at 1 mM
Experimental Conditions
pH
pH 7.5
Holding Potential
70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
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
10
Rotatable Bonds
5
logP
2.2874
Complexity
40.9418
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0