Molecular Details
DICL_CP_0317171
- 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-2,3-dihydroindole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317171
PubChem CID
Molecular Formula
C13H14ClN3 Molecular Weight
247.729 g/mol
Synonyms/Alias
[CHEMBL4877096; BDBM50571576; AKOS033301308; Z138175616]
InChI Key
MMJNUCSIFPQKCB-UHFFFAOYSA-N
InChI
InChI=1S/C13H14ClN3/c1-16-12(14)8-15-13(16)9-17-7-6-10-4-2-3-5-11(10)17/h2-5,8H,6-7,9H2,1H3
IUPAC Name
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-2,3-dihydroindole
CAS Number
1094451-89-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 33 0 0 0 0 0 0 0 0999 V2000
3.3400 0.1487 1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8327 0.3976 0.1154 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2539 1.331...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 5
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
pEC50: 4.64
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
CHO-K1 cell (Chinese Hamster Ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
2
logP
2.6362
Complexity
69.414
TPSA (Ų)
21.06
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3