Molecular Details
DICL_CP_0310034
- 3-methyl-9H-pyrido[3,4-b]indole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310034
PubChem CID
Molecular Formula
C12H10N2 Molecular Weight
182.226 g/mol
Synonyms/Alias
[3-Methyl-9h-pyrido[3;4-b]indole; 18203-06-0; CHEMBL344859; 3-methyl-beta-carboline; 3-Methyl-9H-beta-carboline; 3-methyl-b-carboline; SCHEMBL3333771; XOHBPUCYRSORIZ-UHFFFAOYSA-N; BDBM50035527; PD1814...
InChI Key
XOHBPUCYRSORIZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,14H,1H3
IUPAC Name
3-methyl-9H-pyrido[3,4-b]indole
CAS Number
74214-62-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 26 0 0 0 0 0 0 0 0999 V2000
4.0402 0.6716 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7138 -0.0161 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5333 0.704...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2 (alpha-6 His,Thr,Gly,Val)
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 11 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] Ro15-4513)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
0
logP
3.0245
Complexity
58.3367
TPSA (Ų)
28.68
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3