Compound Detail
CHEMBL1200596
CHLOROXINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1200596 |
| Name | CHLOROXINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WDFKMLRRRCGAKS-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
17
Targets
35
Activities
3
Assay Types
4
PK Parameters
20
Publications
3
Known Names
1
Mechanisms
Molecular Properties
214.1
MW (Da)
3.25
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1976 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA inhibitor | INHIBITOR | DNA | ✓ | ✓ |
Activity Summary
IC50 28 meas. best 7.41
EC50 5 meas. best 6.83
Kd 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.41 | 6.2115 | 39.3 | 13 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.83 | 6.83 | 148.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.59 | 6.59 | 258.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 5.92 | 5.8325 | 1200.0 | 4 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | Kd | 5.62 | 5.62 | 2400.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.48 | 5.48 | 3306.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | Kd | 5.34 | 5.34 | 4600.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.34 | 5.34 | 4560.0 | 1 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.14 | 5.14 | 7240.0 | 1 |
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.89 | 4.89 | 12810.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.59 | 4.59 | 25600.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B CHEMBL2457 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.4 | 4.4 | 39800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 67.7 | hr | Rattus norvegicus |
| T1/2 | 0.9167 | hr | Rattus norvegicus |
| T1/2 | 18.6 | hr | Homo sapiens |
| T1/2 | 0.815 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine