Molecular Details
DICL_CP_0314464
- N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314464
PubChem CID
Molecular Formula
C13H11N3O Molecular Weight
225.251 g/mol
Synonyms/Alias
[78538-74-6; N-Methyl-beta-carboline-3-carboxamide; FG 7142; FG-7142; N-methyl-9H-pyrido[3;4-b]indole-3-carboxamide; FG7142; beta-Carboline-3-carboxylic acid N-methylamide; ZK-31906; 60PO70N1BP; N-Met...
InChI Key
QMCOPDWHWYSJSA-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
IUPAC Name
N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CAS Number
78538-74-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 30 0 0 0 0 0 0 0 0999 V2000
5.3927 -0.0314 1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2023 0.0825 0.5807 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8842 -0.086...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-4beta-3/gamma-2s
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Benzodiazepine binding site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
1
logP
2.0757
Complexity
66.9899
TPSA (Ų)
57.78
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
3