Molecular Details
DICL_CP_0316336
- N-methyl-N,N-diphenylpropane-1,3-diamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316336
PubChem CID
Molecular Formula
C16H20N2 Molecular Weight
240.35 g/mol
Synonyms/Alias
[N-methyl-N;N-diphenyl-propane-1;3-diamine]
InChI Key
VCFZDHFIZOETKS-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N2/c1-17-13-8-14-18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3
IUPAC Name
N-methyl-N,N-diphenylpropane-1,3-diamine
CAS Number
61049-35-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
38 39 0 0 0 0 0 0 0 0999 V2000
4.6681 0.3714 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3472 0.1921 1.4571 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2702 0.406...
Experimental Data
Activity Data
Target Ion Channel
Two-pore channel subunit TPC2
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 87000 nM
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
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
6
logP
3.4342
Complexity
78.4337
TPSA (Ų)
15.27
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2