General
Preferred name
CINCHONINE
Synonyms
LA40221 ()
(8R,9S)-Cinchonine ()
LA40221(8R,9S)-Cinchonine ()
TCMDC-123933 ()
Cinchonan-9-ol, (9s)- ()
GNF-Pf-3189 ()
NSC-6176 ()
(9s)-cinchonan-9-ol ()
D-cinchonine ()
Anhydrous cinchonine sulfate ()
Cinchonine sulfate anhydrous ()
Cinchonine, sulfate (2:1) (salt) ()
Cinchoninum sulphuricum ()
Cinchonine, sulphate (2:1) (salt) ()
Cinchonine sulphate ()
Cinchonine sulfate, anhydrous ()
CINCHONINE SULFATE ()
P&D ID
PD046021
CAS
118-10-5
Tags
available
natural product
drug candidate
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
Cinchonine is an alkaloid phytochemical which is present in the South American shrub/tree Cinchona officinalis, one of the plants that is used for the production of . It is structurally very similar quinine. Experimental evidence indicates that cinchonine can act as a GLP-1 receptor agonist, with associated findings in mouse models that support its potential as an oral agent to treat type 2 diabetes and non-alcoholic steatohepatitis (NASH) . Molecular docking was used to analyse the likely binding characteristics of cinchonine for the GLP-1 receptor, and to predict the contact residues that mediate ligand docking into the receptor structure. Binding affinity was considered to be good by this methodology, but this should be confirmed by further in vitro exploration.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
5
ChEMBL Drugs
Drug Repurposing Hub
Guide to Pharmacology
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
294.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
2
cLogP
3.16
TPSA
36.36
Fraction CSP3
0.42
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)
Pathway
Membrane Transporter/Ion Channel
Anti-infection
Apoptosis
Autophagy
Neuronal Signaling
Target
P-gp?(P-glycoprotein)
CYP2D6
Calcium Channel
Caspase
Parasite
MOA
P-gp
P glycoprotein inhibitor
Source data
