Compound Detail
CHEMBL878
METOLAZONE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL878 |
| Name | METOLAZONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AQCHWTWZEMGIFD-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
5
Activities
3
Assay Types
9
PK Parameters
20
Publications
14
Known Names
6
Indications
1
Mechanisms
Molecular Properties
365.8
MW (Da)
2.71
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1973 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Thiazide-sensitive sodium-chloride cotransporter inhibitor | INHIBITOR | Solute carrier family 12 member 3 | ✓ | ✓ |
Indications
Cardiovascular Diseases Heart Failure Heart Failure Hypertension Toxemia Renal Insufficiency, Chronic
ATC Classification
C03BA08
metolazone
Level 1: CARDIOVASCULAR SYSTEM
Level 2: DIURETICS
Drug Warnings
Black Box Warning
General Warning
Activity Summary
Ki 3 meas. best 8.68
IC50 1 meas. best 4.9
Kd 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Kd | 5.55 | 5.55 | 2800.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| F | 64.0 | % | Homo sapiens |
| Fu | 0.05 | - | Homo sapiens |
| Fu | 0.05 | - | Homo sapiens |
| MRT | 19.0 | hr | Homo sapiens |
| T1/2 | 20.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 2.1 | nM | 8.68 | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by... | 24287559 |
| Carbonic anhydrase 2 | Ki | = | 2000.0 | nM | 5.7 | Binding affinity to human recombinant CA II assessed as inhibition constant | 39161321 |
| Carbonic anhydrase 2 | Kd | = | 2800.0 | nM | 5.55 | Binding affinity to human recombinant CA II assessed as dissociation constant | 39161321 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
Literature References
Data from ChEMBL 36 via Core Engine