Molecular Details
DICL_CP_0319467
- (2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridin-2-yl)methylamino]butan-1-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319467
PubChem CID
Molecular Formula
C15H25N3O Molecular Weight
263.385 g/mol
Synonyms/Alias
[CHEMBL3696453; SCHEMBL12538402; BDBM155847; US9012651; 10]
InChI Key
DJUMBKPXZQELMO-AWEZNQCLSA-N
InChI
InChI=1S/C15H25N3O/c1-12(2)14(11-19)16-10-13-6-5-7-15(17-13)18-8-3-4-9-18/h5-7,12,14,16,19H,3-4,8-11...
IUPAC Name
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridin-2-yl)methylamino]butan-1-ol
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
19 20 0 0 0 0 0 0 0 0999 V2000
5.5297 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0452 -1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1166 -2...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Modulator
Species
Homo sapiens (Human)
IC50
IC50: 3790 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Fluorescence 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
treating conditions and disorder
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US9012651
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
6
logP
1.7883
Complexity
78.2355
TPSA (Ų)
48.39
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2