Molecular Details
DICL_CP_0328995
- [5-(1-benzylindazol-3-yl)furan-2-yl]methanol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328995
PubChem CID
Molecular Formula
C19H16N2O2 Molecular Weight
304.349 g/mol
Synonyms/Alias
[yc-1; Lificiguat; 170632-47-0; (5-(1-benzyl-1H-indazol-3-yl)furan-2-yl)methanol; YC 1; 3-(5-Hydroxymethyl-2-furyl)-1-benzylindazole; 154453-18-6; Lificiguat [INN]; C19H16N2O2; [5-(1-benzylindazol-3-y...
InChI Key
OQQVFCKUDYMWGV-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,2...
IUPAC Name
[5-(1-benzylindazol-3-yl)furan-2-yl]methanol
CAS Number
170632-47-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 26 0 0 0 0 0 0 0 0999 V2000
-5.5257 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0349 2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1461 1...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 9
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >30000 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 7.35
Holding Potential
−80 mV mV
Temperature
Not mention
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
23
Rotatable Bonds
4
logP
3.8369
Complexity
88.9018
TPSA (Ų)
51.19
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4