Compound Detail
CHEMBL1684
BENDROFLUMETHIAZIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1684 |
| Name | BENDROFLUMETHIAZIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HDWIHXWEUNVBIY-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
15
Known Names
2
Indications
1
Mechanisms
Molecular Properties
421.4
MW (Da)
1.63
ALogP
5
HBA
3
HBD
118.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1959 |
| Availability | Discontinued |
| 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 Hypertension
ATC Classification
C03AA01
bendroflumethiazide
Level 1: CARDIOVASCULAR SYSTEM
Level 2: DIURETICS
Activity Summary
IC50 1 meas. best 4.16
Kd 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.16 | 4.16 | 69550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Kd | = | 1700.0 | nM | 5.77 | Binding affinity to human recombinant CA II assessed as dissociation constant | 39161321 |
| Bile salt export pump | IC50 | = | 69550.0 | nM | 4.16 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
Data from ChEMBL 36 via Core Engine