Compound Detail
CHEMBL707
DOXAZOSIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL707 |
| Name | DOXAZOSIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RUZYUOTYCVRMRZ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
30
Targets
79
Activities
4
Assay Types
6
PK Parameters
20
Publications
5
Known Names
20
Indications
Molecular Properties
451.5
MW (Da)
1.72
ALogP
9
HBA
1
HBD
112.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1990 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Hypertension Diabetes Mellitus Heart Failure Hypercholesterolemia Kidney Calculi Myocardial Infarction Myocardial Ischemia Paraganglioma Pheochromocytoma Prostatic Hyperplasia Alcoholism Cardiovascular Diseases Cocaine-Related Disorders Cocaine-Related Disorders Heart Diseases Stress Disorders, Post-Traumatic Tobacco Use Disorder Vascular Diseases Erectile Dysfunction Substance-Related Disorders
ATC Classification
C02CA04
doxazosin
Level 1: CARDIOVASCULAR SYSTEM
Level 2: ANTIHYPERTENSIVES
Activity Summary
Ki 31 meas. best 9.49
IC50 29 meas. best 9.13
Kd 12 meas. best 9.51
EC50 7 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 9.51 | 9.1 | 0.3 | 2 |
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 9.51 | 9.51 | 0.3 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.49 | 8.9617 | 0.3 | 6 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.27 | 8.948 | 0.5 | 5 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 9.2 | 9.102 | 0.6 | 5 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 9.2 | 9.2 | 0.6 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 9.13 | 8.97 | 0.7 | 2 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 8.97 | 8.97 | 1.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.96 | 8.7367 | 1.1 | 3 |
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 8.69 | 8.69 | 2.0 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Kd | 7.59 | 7.59 | 25.7 | 1 |
| Canis familiaris CHEMBL373 | Kd | 7.59 | 7.2767 | 25.7 | 3 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 6.9 | 6.9 | 127.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.83 | 6.83 | 149.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.73 | 6.73 | 188.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.63 | 6.63 | 234.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.54 | 6.54 | 285.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.43 | 6.43 | 368.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.26 | 6.26 | 544.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.23 | 5.945 | 588.8 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.14 | 6.14 | 729.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | IC50 | 6.12 | 6.12 | 764.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.0 | 6.0 | 1003.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.84 | 5.84 | 1428.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.74 | 5.74 | 1815.1 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.72 | 5.72 | 1889.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.57 | 5.57 | 2688.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 5.56 | 5.56 | 2748.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.24 | 5.24 | 5749.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 5.11 | 5.11 | 7730.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.98 | 4.6933 | 10480.0 | 3 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.92 | 4.56 | 12100.0 | 3 |
| ADMET CHEMBL612558 | IC50 | 4.72 | 4.69 | 19000.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.62 | 4.62 | 23930.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 4.61 | 4.61 | 24820.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.51 | 4.4533 | 30560.0 | 3 |
| NHDF CHEMBL614200 | EC50 | 4.39 | 4.195 | 40400.0 | 2 |
| NHDF CHEMBL614200 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| LNCaP CHEMBL612518 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
| PC-3 CHEMBL390 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
| DU-145 CHEMBL613508 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.6 | mL.min-1.kg-1 | Homo sapiens |
| F | 79.0 | % | Homo sapiens |
| F | 65.0 | % | Homo sapiens |
| Fu | 0.017 | - | Homo sapiens |
| MRT | 14.0 | hr | Homo sapiens |
| T1/2 | 10.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine