Molecular Details
DICL_CP_0312202
- 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312202
PubChem CID
Molecular Formula
C10H15N5 Molecular Weight
205.265 g/mol
Synonyms/Alias
[PHENFORMIN; 114-86-3; N-Phenethylbiguanide; Fenformin; Phenformine; Phenethyldiguanide; Fenformina; Pedg; Phenylethylbiguanide; Cronoformin; Fenfoduron; Fenormin; Glukopostin; Phenformix; Debeone; Di...
InChI Key
ICFJFFQQTFMIBG-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
IUPAC Name
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
CAS Number
114-86-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 30 0 0 0 0 0 0 0 0999 V2000
-3.4937 1.2561 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7777 1.4301 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9518 0.407...
Experimental Data
Activity Data
Target Ion Channel
SUR2B/ATP sensitive inward rectifier potassium channel 11
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 71000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
25 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
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
3
logP
-0.1828
Complexity
62.4452
TPSA (Ų)
102.78
H-Bond Donors
3
H-Bond Acceptors
1
Ring Count
1