Molecular Details
DICL_CP_0406226
- 1-[1-[6-(4-phenylbenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]propan-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0406226
PubChem CID
Molecular Formula
C28H30N4O2 Molecular Weight
454.574 g/mol
Synonyms/Alias
[SCHEMBL2407040]
InChI Key
YOWNAZVFGIIWHR-UHFFFAOYSA-N
InChI
InChI=1S/C28H30N4O2/c1-2-26(33)22-12-15-31(16-13-22)27-24-18-32(17-14-25(24)29-19-30-27)28(34)23-10-...
IUPAC Name
1-[1-[6-(4-phenylbenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]propan-1-one
CAS Number
1332454-07-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 38 0 0 0 0 0 0 0 0999 V2000
-6.8183 5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0169 4.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7142 2...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 9 (L122D)
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: >10000 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
0 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
M2 and M4 transmembrane
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
34
Rotatable Bonds
5
logP
4.5376
Complexity
132.5895
TPSA (Ų)
66.4
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
5