General
Preferred name
ETHYLHYDROCUPREINE
Synonyms
Optochin hydrochloride ()
Ethylhydrocupreine (hydrochloride) ()
Optochin ()
Optochin (hydrochloride) ()
ETHYLHYDROCUPREINE HYDROCHLORIDE ()
Optoquine ()
Hydrocupreine, o6'-ethyl- ()
Hydrocinchonidine, 6'-ethoxy- ()
Optichin ()
Hydrocupreine, ethyl ether ()
GNF-Pf-5532 ()
Numoquin ()
TCMDC-125547 ()
TCMDC-123483 ()
GNF-PF-5574 ()
NSC-5361 ()
Ethylhydrocupreine hcl ()
Neumolisina ()
Numoquin hydrochloride ()
P&D ID
PD072774
CAS
522-60-1
3413-58-9
Tags
available
drug
drug candidate
Drug Status
approved
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)
PRICE
29
DESCRIPTION
Ethylhydrocupreine hydrochloride (Optochin hydrochloride) is a quinine derivate with antimicrobial activity against S. pneumoniae. Ethylhydrocupreine hydrochloride also possesses antimalarial activity against Plasmodium falciparum, with an IC50 of 25.75 nM. Ethylhydrocupreine hydrochloride is a Gallus gallus taste 2 receptors (ggTas2r1, ggTas2r2 and ggTas2r7) agonist[1][2][3][4].
DESCRIPTION
Ethylhydrocupreine hydrochloride (Optochin hydrochloride) is a derivative of quinine with antimicrobial activity against Streptococcus pneumoniae and antimalarial activity with an IC50 of 25.75 nM against Plasmodium falciparum. It is also an agonist of Gallus gallus2 receptors (ggTas2r1, ggTas2r2, and ggTas2r7).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
5
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
340.22
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
2
cLogP
3.79
TPSA
45.59
Fraction CSP3
0.57
Chiral centers
5.0
Largest ring
6.0
QED
0.9
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bacterial
Parasite
Pathway
Microbiology/virology
Anti-infection
Source data
