Molecular Details
DICL_CP_0320626
- N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320626
PubChem CID
Molecular Formula
C17H22N2O Molecular Weight
270.376 g/mol
Synonyms/Alias
[N;N-Diallyl-5-methoxytryptamine; 928822-98-4; 5-Methoxy-N;N-diallyl-1H-indole-3-ethanamine; 5-MeO-DALT; 1H-Indole-3-ethanamine; 5-methoxy-N;N-di-2-propen-1-yl-; 5-methoxy DALT; N-Allyl-N-(2-(5-methox...
InChI Key
HGRHWEAUHXYNNP-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11...
IUPAC Name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CAS Number
928822-98-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
42 43 0 0 0 0 0 0 0 0999 V2000
5.1061 2.0199 -1.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0239 1.8622 -0.9788 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3989 0.638...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding 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
20
Rotatable Bonds
8
logP
3.393
Complexity
85.3887
TPSA (Ų)
28.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2