Molecular Details
DICL_CP_0309433
- [4-(1H-imidazol-5-yl)phenyl]methanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309433
PubChem CID
Molecular Formula
C10H11N3 Molecular Weight
173.219 g/mol
Synonyms/Alias
[885281-24-3; 4-(1H-IMIDAZOL-4-YL)-BENZYLAMINE; (4-(1H-IMIDAZOL-4-YL)PHENYL)METHANAMINE; 4-(1H-imidazol-4-yl)benzylamine; [4-(1H-imidazol-5-yl)phenyl]methanamine; CHEMBL1770737; [4-(1H-imidazol-4-yl)p...
InChI Key
HGIDLCJAORUXFC-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N3/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H,5,11H2,(H,12,13)
IUPAC Name
[4-(1H-imidazol-5-yl)phenyl]methanamine
CAS Number
1420477-60-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 25 0 0 0 0 0 0 0 0999 V2000
-1.1239 0.6391 1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2332 0.7837 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8482 -0.053...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 160000 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
13
Rotatable Bonds
2
logP
1.5354
Complexity
51.9151
TPSA (Ų)
54.7
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2