Molecular Details
DICL_CP_0316167
- 1,2-bis(4-methylphenyl)guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316167
PubChem CID
Molecular Formula
C15H17N3 Molecular Weight
239.322 g/mol
Synonyms/Alias
[Guanidine; N;N-bis(4-methylphenyl)-; N;N-Bis(4-methylphenyl)guanidine; N;N-Ditolylguanidine; 50856-85-4; 54116-98-2; Guanidine; N;N-bis(methylphenyl)-; Di-p-tolylguanidine; BRN 2652030; GUANIDINE; 1;...
InChI Key
FXQVBOJLSKRNLL-UHFFFAOYSA-N
InChI
InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
IUPAC Name
1,2-bis(4-methylphenyl)guanidine
CAS Number
50856-85-4
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
5.5170 -1.4397 1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4371 -0.7009 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5341 -0.497...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1; delta receptor)
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 535 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
Not specified
Temperature
0 °C
Test Method
Binding assay ([3H] N,N-di-o-tolylguanidine)
Test Species
rat brain membranes
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
2
logP
3.3617
Complexity
77.2631
TPSA (Ų)
50.41
H-Bond Donors
2
H-Bond Acceptors
1
Ring Count
2