Molecular Details
DICL_CP_0311561
- 1-cyano-3-(4-cyanophenyl)-2-methylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311561
PubChem CID
Molecular Formula
C10H9N5 Molecular Weight
199.217 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MBBXNSSLTRYCGK-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N5/c1-13-10(14-7-12)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,13,14,15)
IUPAC Name
1-cyano-3-(4-cyanophenyl)-2-methylguanidine
CAS Number
N/A (Not available)
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
-4.7556 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5424 -1.3863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1718 -0...
Experimental Data
Activity Data
Target Ion Channel
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
Uniprot Accession Number
Function
Opener
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >30000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 ℃
Test Method
Binding assay ([3H] P1075)
Test Species
canine cardia
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
1
logP
1.0267
Complexity
56.8874
TPSA (Ų)
84
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1