Compound Detail
CHEMBL310555
OXYQUINOLINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL310555 |
| Name | OXYQUINOLINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCJGNVYPOGVAJF-UHFFFAOYSA-N |
22
Targets
54
Activities
3
Assay Types
0
PK Parameters
20
Publications
17
Known Names
1
Indications
Molecular Properties
145.2
MW (Da)
1.94
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Infections
ATC Classification
A01AB07
oxyquinoline
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
D08AH03
oxyquinoline
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
G01AC30
oxyquinoline
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
R02AA14
oxyquinoline
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS
Activity Summary
IC50 48 meas. best 8.54
EC50 3 meas. best 4.96
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Bacterial leucyl aminopeptidase CHEMBL3750 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 6.67 | 6.67 | 213.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.24 | 6.24 | 580.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 5.238 | 770.0 | 5 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 5.9 | 5.6133 | 1270.0 | 3 |
| Catechol O-methyltransferase CHEMBL2023 | IC50 | 5.8 | 5.65 | 1584.9 | 2 |
| FM3A CHEMBL614297 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| MES-SA/Dx5 CHEMBL613827 | IC50 | 5.66 | 5.5667 | 2187.8 | 3 |
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| MES-SA CHEMBL614343 | IC50 | 5.3 | 5.2967 | 5011.9 | 3 |
| HCT-116 CHEMBL394 | IC50 | 5.22 | 4.905 | 6000.0 | 4 |
| A549 CHEMBL392 | IC50 | 5.18 | 4.7233 | 6580.0 | 3 |
| PANC-1 CHEMBL614139 | IC50 | 5.13 | 4.7533 | 7430.0 | 3 |
| SW1990 CHEMBL1075592 | IC50 | 4.99 | 4.74 | 10230.0 | 2 |
| Histone deacetylase 8 CHEMBL3192 | EC50 | 4.96 | 4.96 | 11100.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.89 | 4.78 | 12900.0 | 2 |
| HeLa CHEMBL399 | IC50 | 4.87 | 4.66 | 13500.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.84 | 4.67 | 14360.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.75 | 4.75 | 17894.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.68 | 4.68 | 21060.0 | 1 |
| Catechol O-methyltransferase CHEMBL2372 | IC50 | 4.67 | 4.67 | 21379.6 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 3.89 | 3.89 | 130000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine