Molecular Details
DICL_CP_0309796
- 2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309796
PubChem CID
Molecular Formula
C10H13NO2 Molecular Weight
179.219 g/mol
Synonyms/Alias
[37491-98-8; 2-Methyl-6;7-dihydroxy-1;2;3;4-tetrahydroisoquinoline; 2-methyl-1;2;3;4-tetrahydroisoquinoline-6;7-diol; 2(N)-Methyl-norsalsolinol; 1;2;3;4-Tetrahydro-2-methyl-6;7-isoquinolinediol; 2-met...
InChI Key
WETXYFNVBDLWIW-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
IUPAC Name
2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CAS Number
54383-36-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 27 0 0 0 0 0 0 0 0999 V2000
-2.8419 0.3230 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2248 0.7285 0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9341 -0.419...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-3/beta-4
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: >1000000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
tsA-201 Homo sapiens embryonic kidney cell
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
1.0857
Complexity
49.8096
TPSA (Ų)
43.7
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
2