Compound Detail
CHEMBL1072
BUMETANIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1072 |
| Name | BUMETANIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
6
Activities
2
Assay Types
13
PK Parameters
20
Publications
14
Known Names
14
Indications
1
Mechanisms
Molecular Properties
364.4
MW (Da)
3.04
ALogP
5
HBA
3
HBD
118.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1983 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium-(potassium)-chloride cotransporter 2 inhibitor | INHIBITOR | Solute carrier family 12 member 1 | ✓ | ✓ |
Indications
Cardiovascular Diseases Heart Failure Heart Failure Kidney Diseases Nephrotic Syndrome Autistic Disorder Child Development Disorders, Pervasive Alzheimer Disease Down Syndrome Hypokalemic Periodic Paralysis Renal Insufficiency, Chronic Carcinoma, Hepatocellular Diabetes Mellitus, Type 2 Seizures
ATC Classification
C03CA02
bumetanide
Level 1: CARDIOVASCULAR SYSTEM
Level 2: DIURETICS
Drug Warnings
Black Box Warning
nephrotoxicity
Black Box Warning
General Warning
Activity Summary
IC50 3 meas. best 5.81
Ki 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 12 member 2 CHEMBL1615383 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL1777665 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.16 | 5.16 | 6980.0 | 1 |
| Aquaporin-4 CHEMBL5291512 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 144.54 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| F | 80.0 | % | Homo sapiens |
| F | 81.0 | % | Homo sapiens |
| Fu | 0.031 | - | Homo sapiens |
| Fu | 0.031 | - | Homo sapiens |
| MRT | 1.1 | hr | Homo sapiens |
| T1/2 | 1.2 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 2 | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of NKCC1 in human HT-29 cells assessed as inhibition of rubidium upta... | 33007663 |
| Solute carrier family 22 member 6 | Ki | = | 5500.0 | nM | 5.26 | TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes | 10991988 |
| Carbonic anhydrase 2 | Ki | = | 6980.0 | nM | 5.16 | Binding affinity to human recombinant CA II assessed as inhibition constant | 39161321 |
| Aquaporin-4 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of rat AQP4 water channel expressed in Xenopus laevis oocytes assesse... | 33007663 |
Literature References
Data from ChEMBL 36 via Core Engine