Molecular Details
DICL_CP_0319949
- 2-(2-amino-3-methoxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319949
PubChem CID
Molecular Formula
C16H13NO3 Molecular Weight
267.284 g/mol
Synonyms/Alias
[167869-21-8; PD98059; PD 98059; 2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one; PD-98059; 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one; PD 98;059; 2-(2-amino-3-methoxyphenyl)chromen-4-one; 2-AMINO...
InChI Key
QFWCYNPOPKQOKV-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
IUPAC Name
2-(2-amino-3-methoxyphenyl)chromen-4-one
CAS Number
167869-21-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 22 0 0 0 0 0 0 0 0999 V2000
-6.3823 -0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9339 -1.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8719 -0...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 9
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >30000 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 7.35
Holding Potential
−80 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
2
logP
3.0508
Complexity
78.8844
TPSA (Ų)
65.46
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3