Molecular Details
DICL_CP_0342179
- [(1S,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl]methanol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0342179
PubChem CID
Molecular Formula
C21H28N2O2 Molecular Weight
340.467 g/mol
Synonyms/Alias
[CHEMBL3325768; BDBM50044108]
InChI Key
JKVHRIYIUCRJFF-VKTIVEEGSA-N
InChI
InChI=1S/C21H28N2O2/c1-3-14-8-13-10-21(12-24)19-16(6-7-23(11-13)20(14)21)17-9-15(25-2)4-5-18(17)22-1...
IUPAC Name
[(1S,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl]methanol
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
53 57 0 0 0 0 0 0 0 0999 V2000
-5.7270 -0.3945 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2317 -0.6025 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3601 0.087...
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: 105000 (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 icilin
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
3
logP
3.0831
Complexity
99.1845
TPSA (Ų)
48.49
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
6