General
Preferred name
CINCHONINE
Synonyms
LA40221 ()
(8R,9S)-Cinchonine ()
LA40221(8R,9S)-Cinchonine ()
CINCHONINE SULFATE ()
TCMDC-123933 ()
D-cinchonine ()
Cinchonan-9-ol, (9s)- ()
(9s)-cinchonan-9-ol ()
GNF-Pf-3189 ()
NSC-6176 ()
Cinchoninum sulphuricum ()
Cinchonine sulphate ()
Anhydrous cinchonine sulfate ()
Cinchonine sulfate, anhydrous ()
Cinchonine, sulphate (2:1) (salt) ()
Cinchonine, sulfate (2:1) (salt) ()
Cinchonine sulfate anhydrous ()
P&D ID
PD046021
CAS
118-10-5
Tags
drug candidate
natural product
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
3
Compound Sets
4
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
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
Target
P-gp?(P-glycoprotein)
CYP2D6
Parasite
MOA
P-gp
P glycoprotein inhibitor
Source data
