Molecular Details
DICL_CP_0312255
- 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312255
PubChem CID
Molecular Formula
C9H14N6 Molecular Weight
206.253 g/mol
Synonyms/Alias
[improgan; GTPL1276; CHEMBL2261340; BDBM50487260; EN300-9436680; 1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine; 3-cyano-1-[3-(3H-imidazol-4-yl)propyl]-2-methylguanidine; N-cyano-N-[3-(1H-im...
InChI Key
CXTGREPICTYOGB-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)
IUPAC Name
1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
CAS Number
98104-48-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 15 0 0 0 0 0 0 0 0999 V2000
-4.5185 -1.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0967 -1.2240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7998 0...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
92% inhibition at 10 μM
Experimental Conditions
pH
pH 7.3
Holding Potential
−70 mV mV
Temperature
Not mention
Test Method
Patch-clamping
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
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
4
logP
-0.0116
Complexity
57.0191
TPSA (Ų)
88.89
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
1