Molecular Details
DICL_CP_0308259
- 4-(1H-imidazol-5-yl)aniline
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308259
PubChem CID
Molecular Formula
C9H9N3 Molecular Weight
159.192 g/mol
Synonyms/Alias
[4-(1H-Imidazol-4-yl)aniline; 29528-28-7; 4-(1H-imidazol-5-yl)aniline; benzenamine; 4-(1H-imidazol-5-yl)-; CHEMBL1770736; MFCD00297065; Benzenamine; 4-(1H-imidazol-4-yl)-; 4-(imidazol-4-yl)-aniline; O...
InChI Key
CENKJXADYBDCLM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N3/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2,(H,11,12)
IUPAC Name
4-(1H-imidazol-5-yl)aniline
CAS Number
1370468-36-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 22 0 0 0 0 0 0 0 0999 V2000
0.1373 -1.1649 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4986 -1.4816 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 -0.516...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 430000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV mV
Temperature
25–29 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
1
logP
1.6589
Complexity
48.4361
TPSA (Ų)
54.7
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2