Molecular Details
DICL_CP_0314304
- 6-phenyl-3H-pteridin-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314304
PubChem CID
Molecular Formula
C12H8N4O Molecular Weight
224.223 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
VGGMMAPLRYTTGG-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N4O/c17-12-10-11(14-7-15-12)13-6-9(16-10)8-4-2-1-3-5-8/h1-7H,(H,13,14,15,17)
IUPAC Name
6-phenyl-3H-pteridin-4-one
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
17 19 0 0 0 0 0 0 0 0999 V2000
-2.3221 -2.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7645 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2269 -1...
Experimental Data
Activity Data
Target Ion Channel
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11
Uniprot Accession Number
Function
Opener
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >30000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not mention mV
Temperature
37 °C
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
17
Rotatable Bonds
1
logP
1.3801
Complexity
63.3897
TPSA (Ų)
71.53
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3