Compound Detail
CHEMBL588934
HYDROQUININE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL588934 |
| Name | HYDROQUININE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJOQGZACKSYWCH-WZBLMQSHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
326.4
MW (Da)
3.40
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
ATC Classification
M09AA01
hydroquinine
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Activity Summary
IC50 2 meas. best 4.33
Ki 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| MES-SA/Dx5 CHEMBL613827 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
| MES-SA CHEMBL614343 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | Ki | = | 4000.0 | nM | 5.4 | Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = ... | 8487254 |
| MES-SA/Dx5 | IC50 | = | 47000.0 | nM | 4.33 | Cytotoxicity against multidrug resistance human MES-SA/Dx5 cells assessed as cel... | 35640378 |
| MES-SA | IC50 | = | 48000.0 | nM | 4.32 | Cytotoxicity against human MES-SA cells assessed as cell growth inhibition incub... | 35640378 |
Literature References
Data from ChEMBL 36 via Core Engine