Molecular Details
DICL_CP_0326763
- (8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-pyrazol-5-yl)metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0326763
PubChem CID
Molecular Formula
C16H16N4O2 Molecular Weight
296.33 g/mol
Synonyms/Alias
[CHEMBL4783477; SCHEMBL23828254; BDBM50561325]
InChI Key
RRQNMJCZINDASB-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N4O2/c1-22-10-2-3-13-11(8-10)12-9-20(7-5-14(12)18-13)16(21)15-4-6-17-19-15/h2-4,6,8,1...
IUPAC Name
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-pyrazol-5-yl)metha
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
38 41 0 0 0 0 0 0 0 0999 V2000
6.3526 -1.3256 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9364 -1.4658 -0.1732 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0307 -0.448...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel)
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 10600 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
Not mention mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
2
logP
2.0981
Complexity
81.8829
TPSA (Ų)
74.01
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4