Molecular Details
DICL_CP_0324392
- 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324392
PubChem CID
Molecular Formula
C15H13NO5 Molecular Weight
287.271 g/mol
Synonyms/Alias
[Citrusinine II; citrusinine-II; CHEMBL465847; 1;3;5-trihydroxy-4-methoxy-10-methylacridone; 1;3;5-TRIHYDROXY-4-METHOXY-10-METHYLACRIDIN-9-ONE; 86680-33-3; GTPL11377; CHEBI:230775; DTXSID201211167; BD...
InChI Key
QEGXAAUCDUFHPJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
IUPAC Name
1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
CAS Number
86680-32-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 36 0 0 0 0 0 0 0 0999 V2000
-0.0864 -2.1375 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4021 -0.7571 0.2095 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7242 -0.372...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 12430 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 7.4
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
directly interacts with Y564 within S4 helix
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
1
logP
1.8171
Complexity
78.2414
TPSA (Ų)
91.92
H-Bond Donors
3
H-Bond Acceptors
6
Ring Count
3