General
Preferred name
QUINOLINE
Synonyms
1-Benzazine ()
P&D ID
PD144439
CAS
20214-07-7
91-22-5
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 Quinolines are used in the manufacture of dyes and the preparation of hydroxyquinoline sulfate and niacin. derivatives of quinoline have been seen to promote anticancer, antibacterial and antiviral activity, however quinoline itself is often seen as an environmental contaminant. Quinoline also has agonist effect on nicotinic α4β2. (Enamine Bioactive Compounds)
DESCRIPTION PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
3
DrugBank
DB18050
Enamine Bioactive Compounds
EBC-151078
TargetMol Bioactive Compound Library
0402-0177
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
129.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
2.23
TPSA
12.89
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data