Molecular Details
DICL_CP_0312113
- (5S)-5-methyl-1-(2-pyridin-3-ylethyl)-45-dihydroimidazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312113
PubChem CID
Molecular Formula
C11H16N4 Molecular Weight
204.277 g/mol
Synonyms/Alias
[CHEMBL4084577; 2196197-89-2; (S)-5-Methyl-1-(2-(pyridin-3-yl)ethyl)-45-dihydro-1H-imidazol-2-amine; SCHEMBL20570017; AP 202; BDBM50246826; BA167283; (s)-5-methyl-1-(2-(pyridin-3-yl)ethyl)imidazolidin...
InChI Key
GIQJQATVWVFAFP-VIFPVBQESA-N
InChI
InChI=1S/C11H16N4/c1-9-7-14-11(12)15(9)6-4-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H2,12,14)/t9-/m...
IUPAC Name
(5S)-5-methyl-1-(2-pyridin-3-ylethyl)-45-dihydroimidazol-2-amine
CAS Number
2196197-89-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 32 0 0 0 0 0 0 0 0999 V2000
-2.4663 1.2941 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4084 -0.2312 1.2670 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7271 -0.826...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-3/alpha-5/beta-4
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 1619 nM
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
HEK cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
3
logP
0.6429
Complexity
60.5984
TPSA (Ų)
54.51
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
2