Molecular Details
DICL_CP_0311596
- 2-[(E)-pyridin-4-ylmethylideneamino]guanidine;hydrochloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311596
PubChem CID
Molecular Formula
C7H10ClN5 Molecular Weight
199.645 g/mol
Synonyms/Alias
[CHEMBL2346931; BDBM50490855]
InChI Key
GAVOTZMYYOABHX-HMXKFKBXSA-N
InChI
InChI=1S/C7H9N5.ClH/c8-7(9)12-11-5-6-1-3-10-4-2-6;/h1-5H,(H4,8,9,12);1H/b11-5+;
IUPAC Name
2-[(E)-pyridin-4-ylmethylideneamino]guanidine;hydrochloride
CAS Number
1321514-06-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 22 0 0 0 0 0 0 0 0999 V2000
2.5781 0.6190 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8857 0.1689 1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1570 -0.724...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2A
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 537032 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Binding assay ([3H] MK801)
Test Species
P2 membrane
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
2
logP
0.1107
Complexity
54.8888
TPSA (Ų)
89.65
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1