Molecular Details
DICL_CP_0309634
- 1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309634
PubChem CID
Molecular Formula
C10H12N2O Molecular Weight
176.219 g/mol
Synonyms/Alias
[CYFUSINE; (+/-)-cyfusine; CHEMBL404660; SCHEMBL4174629; CXOGMMQKRNROKJ-UHFFFAOYSA-N; BDBM50375266; 1;2;3;3a;8;8a-Hexahydro-2;7a-diaza-cyclopenta[a]inden-7-one]
InChI Key
CXOGMMQKRNROKJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O/c13-10-3-1-2-9-8-5-11-4-7(8)6-12(9)10/h1-3,7-8,11H,4-6H2
IUPAC Name
1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one
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
25 27 0 0 0 0 0 0 0 0999 V2000
-2.5626 -0.5731 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3921 -0.6477 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2826 -1.636...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2D
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 2900 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
23 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
0
logP
0.1649
Complexity
49.8027
TPSA (Ų)
34.03
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3