General
Preferred name
PD039962
Synonyms
Quinine sulfate ()
(R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol ()
P&D ID
PD039962
CAS
12239-42-8
57237-58-8
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
K+ channel blocker; antimalarial, anticholinergic, antihypertensive and hypoglycemic agent; alkaloid isolated from the bark of the Cinchona family of South American trees
(LOPAC library)
DESCRIPTION
PubChem BioAssay. qHTS profiling of Chloroquine Analogs as inhibitors of Plasmodium falciparum (HB3) proliferation. (Class of assay: confirmatory); PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768 AID492961]
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
LOPAC library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
324.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
3.17
TPSA
45.59
Fraction CSP3
0.45
Chiral centers
5.0
Largest ring
6.0
QED
0.88
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
