Molecular Details
DICL_CP_0345028
- 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0345028
PubChem CID
Molecular Formula
C19H16N4O3 Molecular Weight
348.362 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
TUVCWJQQGGETHL-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-...
IUPAC Name
3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
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
42 46 0 0 0 0 0 0 0 0999 V2000
6.2031 1.5105 0.4133 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2327 0.5136 0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6174 -0.803...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 6
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: >10000 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
2
logP
2.9802
Complexity
97.2378
TPSA (Ų)
84.51
H-Bond Donors
1
H-Bond Acceptors
7
Ring Count
5