Molecular Details
DICL_CP_0310552
- 2-[(E)-1H-pyrrol-2-ylmethylideneamino]guanidine;hydrochloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310552
PubChem CID
Molecular Formula
C6H10ClN5 Molecular Weight
187.634 g/mol
Synonyms/Alias
[CHEMBL2346933; NSC67609; BDBM50490856; NSC-67609]
InChI Key
UJEVTGGYFZMUGJ-FCVRUTMISA-N
InChI
InChI=1S/C6H9N5.ClH/c7-6(8)11-10-4-5-2-1-3-9-5;/h1-4,9H,(H4,7,8,11);1H/b10-4+;
IUPAC Name
2-[(E)-1H-pyrrol-2-ylmethylideneamino]guanidine;hydrochloride
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
22 21 0 0 0 0 0 0 0 0999 V2000
3.8848 0.6823 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2992 0.8517 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9842 0.576...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2A
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 95499 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
12
Rotatable Bonds
2
logP
0.0438
Complexity
51.4445
TPSA (Ų)
92.55
H-Bond Donors
3
H-Bond Acceptors
2
Ring Count
1