General
Preferred name
CINCHONIDINE
Synonyms
¦Á-Quinidine ()
??-Quinidine ()
L-Cinchonidine ()
(-)-Cinchonidine ()
α-Quinidine ()
Cinchonidine sulphate ()
NSC-5364 ()
Cinchovatine- ()
.alpha.-quinidine ()
TCMDC-123934 ()
Cinchonidine sulfate anhydrous ()
Cinchonidine sulphate anhydrous ()
Cinchonidine sulfate, anhydrous ()
CINCHONIDINE SULFATE ()
P&D ID
PD001559
CAS
485-71-2
524-61-8
Tags
available
drug candidate
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Cinchonidine is an alkaloid found in Cinchona officinalis. It is used in asymmetric synthesis in organic chemistry. It is a stereoisomer and pseudo-enantiomer of cinchonine. Cinchonidine is a weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. (BOC Sciences Bioactive Compounds)
DESCRIPTION Cinchonidine sulphate is the sulfate form of cinchonidine, which is an alkaloid found in Cinchona officinalis and Gongronema latifolium. It is used in asymmetric synthesis in organic chemistry. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
8
AdooQ Bioactive Compound Library
A10220
BOC Sciences Bioactive Compounds
cinchonidine-cas-485-71-2-69506
cinchonidine-sulphate-cas-524-61-8-item-121974
ChEMBL Drugs
CHEMBL533841
CHEMBL4297072
Drug Repurposing Hub
DrugBank
DB16831
MedChem Express Bioactive Compound Library
HY-N0173
TargetMol Bioactive Compound Library
T1317
The Spectrum Collection
External IDs
36
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
GPCR/G protein
Anti-infection
Neuronal Signaling
Target
SERT
Parasite
Serotonin Transporter
MOA
5-HT Receptor
P glycoprotein inhibitor
Solubility
DMSO: 29 mg/mL (98.5 mM)<br/>Ethanol: 29 mg/mL (98.5 mM)<br/>Water: Insoluble
Soluble in DMSO, not in water
Source data