Molecular Details
DICL_CP_0310522
- 2-quinazolin-2-ylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310522
PubChem CID
Molecular Formula
C9H9N5 Molecular Weight
187.206 g/mol
Synonyms/Alias
[102331-12-4; 1-(Quinazolin-2-yl)guanidine; N-(quinazolin-2-yl)guanidine; N-Quinazolin-2-ylguanidine; 2-quinazolylguanidine; 2-guanidinoquinazoline; SCHEMBL497359; DTXSID30622810]
InChI Key
MELYYJJKRWTTNN-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N5/c10-8(11)14-9-12-5-6-3-1-2-4-7(6)13-9/h1-5H,(H4,10,11,12,13,14)
IUPAC Name
2-quinazolin-2-ylguanidine
CAS Number
716-11-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 24 0 0 0 0 0 0 0 0999 V2000
3.8429 0.2941 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1695 1.3724 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7801 1.331...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >100000 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 7.4
Holding Potential
−60 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
CHO 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
14
Rotatable Bonds
1
logP
0.5347
Complexity
55.0078
TPSA (Ų)
90.18
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
2