Molecular Details
DICL_CP_0308914
- 2-(4-methylphenyl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308914
PubChem CID
Molecular Formula
C10H12O2 Molecular Weight
164.204 g/mol
Synonyms/Alias
[2-(4-Methylphenyl)propanoic acid; 938-94-3; 2-(p-Tolyl)propanoic acid; 2-(4-methylphenyl)propionic acid; 2-(P-TOLYL)PROPIONIC ACID; p-Methylhydratropic Acid; 2-(4-Tolyl)propanoic acid; MFCD01111378; ...
InChI Key
KDYOFXPLHVSIHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
IUPAC Name
2-(4-methylphenyl)propanoic acid
CAS Number
15687-27-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
12 12 0 0 0 0 0 0 0 0999 V2000
4.3024 -0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8258 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 -1...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
70% inhibition at 3mM
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 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
12
Rotatable Bonds
2
logP
2.1831
Complexity
47.2298
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
1