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Compound Detail

CHEMBL14474

QUINOLINE
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c1ccc2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14474
Name QUINOLINE
Phase Preclinical
Structure Type MOL
InChI Key SMWDFEZZVXVKRB-UHFFFAOYSA-N

Known Names

1-Benzazine
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

129.2
MW (Da)
2.23
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H7N
MW 129.16
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toxoplasma gondii
CHEMBL612888
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toxoplasma gondii IC50 = 5000.0 nM 5.3 Antiparasitic activity against Toxoplasma gondii after 4 days by chlorophenol re... 28242275

Literature References

PubMed DOI Target Context # Activities
31124675 10.1021/acs.jmedchem.9b00628 ADMET 9
31124675 10.1021/acs.jmedchem.9b00628 Leishmania donovani 6
22197671 10.1016/j.bmc.2011.11.068 NON-PROTEIN TARGET 4
22197671 10.1016/j.bmc.2011.11.068 Brain 4
22190693 10.1124/dmd.111.042770 ADMET 3
- 10.1016/0960-894X(95)00226-J No relevant target 2
22197671 10.1016/j.bmc.2011.11.068 No relevant target 2
18558667 10.1021/jm701549s No relevant target 2
31922756 10.1021/acs.jmedchem.9b01492 Neutrophil cytosol factor 1 2
2374149 10.1021/jm00170a029 Sodium-dependent dopamine transporter 2
1271403 10.1021/jm00227a008 No relevant target 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
10956200 10.1021/jm0000822 No relevant target 2
31385704 10.1021/acs.jmedchem.9b00875 Aldehyde oxidase 1 2
2033592 10.1021/jm00109a021 Lithobates pipiens 1
10649984 10.1021/jm990437l Ferriprotoporphyrin IX 1
10649984 10.1021/jm990437l Histidine-rich protein PFHRP-II 1
38508120 10.1016/j.ejmech.2024.116332 Maltase-glucoamylase 1
2502633 10.1021/jm00128a041 ADMET 1
10956200 10.1021/jm0000822 ADMET 1

Data from ChEMBL 36 via Core Engine