Molecular Details
DICL_CP_0341300
- methyl (1R,15S,17S,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0341300
PubChem CID
Molecular Formula
C21H26N2O2 Molecular Weight
338.451 g/mol
Synonyms/Alias
[CHEMBL3325770; SCHEMBL9779770; BDBM50044106]
InChI Key
NVVDQMVGALBDGE-YEEBJNCVSA-N
InChI
InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-1...
IUPAC Name
methyl (1R,15S,17S,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
CAS Number
510-22-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
51 55 0 0 0 0 0 0 0 0999 V2000
-4.8289 -0.0973 1.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3271 0.1687 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6248 -0.845...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 8
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 600 (against icilin) 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
Not specified
Temperature
25 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
T-REx HEK cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
against menthol
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
2
logP
3.2552
Complexity
97.5627
TPSA (Ų)
45.33
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
6