Molecular Details
DICL_CP_0316170
- 1,2-bis(2-methylphenyl)guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316170
PubChem CID
Molecular Formula
C15H17N3 Molecular Weight
239.322 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
OPNUROKCUBTKLF-UHFFFAOYSA-N
InChI
InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
IUPAC Name
1,2-bis(2-methylphenyl)guanidine
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
35 36 0 0 0 0 0 0 0 0999 V2000
-3.6632 1.4446 -1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6734 0.0675 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8460 -0.705...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2B
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 0.6 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
37 ℃
Test Method
Binding assay (ifenprodil)
Test Species
L(tk-) cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
2
logP
3.7622
Complexity
77.3301
TPSA (Ų)
47.91
H-Bond Donors
3
H-Bond Acceptors
1
Ring Count
2