Molecular Details
DICL_CP_0454898
- (2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-((2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl 4-((2-methoxy-2-oxoethyl)amino)-2,2-dimethyl-4-oxobutanoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0454898
PubChem CID
N/A (Not available)
Molecular Formula
C39H65NO10 Molecular Weight
707.946 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
HYNULTWQYQCOIP-VUQPNXGWSA-N
InChI
InChI=1S/C39H65NO10/c1-34(2,19-30(44)40-20-31(45)49-10)33(47)50-26-18-37(7)25-17-29(43)39(9)23(22(21...
IUPAC Name
(2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-((2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl 4-((2-methoxy-2-oxoethyl)amino)-2,2-dimethyl-4-oxobutanoate
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
115118 0 0 0 0 0 0 0 0999 V2000
3.6434 -2.5968 3.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7423 -1.4460 2.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4928 -0.283...
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: 540000 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
−140 mV mV
Temperature
Room Temperature
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
50
Rotatable Bonds
12
logP
3.8151
Complexity
187.2417
TPSA (Ų)
182.85
H-Bond Donors
6
H-Bond Acceptors
10
Ring Count
4