Molecular Details
DICL_CP_0367765
- (3R,4S)-7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0367765
PubChem CID
Molecular Formula
C24H28N2O3 Molecular Weight
392.499 g/mol
Synonyms/Alias
[SCHEMBL113139; ZZUSANGEAUESFL-XZOQPEGZSA-N; PD162407; (3R*;4S*)-7-hydroxymethyl-2;2;9-trimethyl-4-[(2-phenylethyl)amino]-3;4-dihydro-2H-pyrano[2;3-g]quinolin-3-ol; (3R;4S)-7-hydroxymethyl-2;2;9-trime...
InChI Key
ZZUSANGEAUESFL-XZOQPEGZSA-N
InChI
InChI=1S/C24H28N2O3/c1-15-11-17(14-27)26-20-12-19-21(13-18(15)20)29-24(2,3)23(28)22(19)25-10-9-16-7-...
IUPAC Name
(3R,4S)-7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
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
57 60 0 0 0 0 0 0 0 0999 V2000
-5.8418 -0.3664 1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5889 0.4698 1.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6434 1.741...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 12
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 190000 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
−80 mV mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
29
Rotatable Bonds
5
logP
3.4408
Complexity
114.0063
TPSA (Ų)
74.61
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
4