Compound Detail
CHEMBL81
RALOXIFENE 💊 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 | CHEMBL81 |
| Name | RALOXIFENE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GZUITABIAKMVPG-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
63
Targets
238
Activities
4
Assay Types
30
PK Parameters
20
Publications
9
Known Names
13
Indications
1
Mechanisms
Molecular Properties
473.6
MW (Da)
6.08
ALogP
6
HBA
2
HBD
70.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor modulator | MODULATOR | Estrogen receptor | ✓ | ✓ |
Indications
Bone Diseases, Metabolic Breast Neoplasms Cognitive Dysfunction Osteoporosis Osteoporosis, Postmenopausal Polycystic Ovary Syndrome Psychotic Disorders Schizophrenia Alzheimer Disease Endometrial Neoplasms Menopause Severe Acute Respiratory Syndrome Prostatic Neoplasms
ATC Classification
G03XC01
raloxifene
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Activity Summary
IC50 172 meas. best 9.74
Ki 54 meas. best 10.52
EC50 11 meas. best 10.4
Kd 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 10.52 | 9.5375 | 0.0 | 8 |
| Ishikawa CHEMBL614649 | EC50 | 10.4 | 7.55 | 0.0 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 9.74 | 8.5375 | 0.2 | 32 |
| MCF7 CHEMBL387 | IC50 | 9.7 | 6.5847 | 0.2 | 17 |
| Estrogen receptor CHEMBL2093866 | IC50 | 9.7 | 8.6492 | 0.2 | 12 |
| Estrogen receptor CHEMBL206 | EC50 | 9.18 | 8.1667 | 0.7 | 3 |
| Estrogen receptor CHEMBL2724 | IC50 | 9.15 | 8.65 | 0.7 | 2 |
| Aldehyde oxidase CHEMBL3257 | Ki | 9.06 | 8.9883 | 0.9 | 6 |
| Ishikawa CHEMBL614649 | IC50 | 9.03 | 5.775 | 0.9 | 4 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.8 | 7.4542 | 1.6 | 24 |
| Estrogen receptor CHEMBL2094114 | IC50 | 8.73 | 8.73 | 1.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.62 | 6.202 | 2.4 | 10 |
| Estrogen receptor beta CHEMBL242 | Ki | 8.56 | 8.215 | 2.7 | 6 |
| Aldehyde oxidase CHEMBL3257 | IC50 | 8.52 | 8.0525 | 3.0 | 4 |
| U2OS CHEMBL615023 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Estrogen receptor beta CHEMBL3021 | IC50 | 8.47 | 7.4 | 3.4 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.42 | 6.98 | 38.0 | 2 |
| C-8 sterol isomerase ERG2 CHEMBL3224 | Ki | 7.18 | 7.18 | 66.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.16 | 6.905 | 69.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.04 | 5.1733 | 92.3 | 6 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.84 | 6.562 | 144.0 | 5 |
| Estrogen receptor beta CHEMBL242 | EC50 | 6.58 | 6.58 | 260.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.55 | 6.55 | 282.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.45 | 6.45 | 355.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.41 | 6.41 | 391.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.38 | 6.38 | 414.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.32 | 6.32 | 478.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.32 | 6.32 | 477.0 | 1 |
| Aldehyde oxidase 1 CHEMBL1641354 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Aldehyde oxidase 1 CHEMBL1641357 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.28 | 6.28 | 531.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.21 | 6.21 | 617.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.21 | 6.21 | 624.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.19 | 6.19 | 641.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.17 | 6.17 | 681.0 | 1 |
| Complement C5 CHEMBL2364163 | Kd | 6.15 | 6.15 | 710.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 6.13 | 6.13 | 738.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.12 | 6.12 | 750.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.07 | 6.07 | 846.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.05 | 6.05 | 892.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.01 | 6.01 | 973.0 | 1 |
| Aldehyde oxidase 1 CHEMBL1641355 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.93 | 5.93 | 1178.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.93 | 5.93 | 1176.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.93 | 5.93 | 1174.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.93 | 5.93 | 1185.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 157.7 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 40.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 58.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 108.0 | mL.min-1.g-1 | Mus musculus |
| CL | 24.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 79.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 346.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 6.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 26.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 178.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 22.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 6.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 11.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 79.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 5.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 6.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 6.0 | mL.min-1.g-1 | Mus musculus |
| CL | 66.0 | mL.min-1.g-1 | Mus musculus |
| CL | 34.0 | mL.min-1.g-1 | Mus musculus |
| CL | 6.0 | mL.min-1.g-1 | Mus musculus |
| CL | 21.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 30.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | - | mL.min-1.kg-1 | Homo sapiens |
| CL | 8.9 | mL.min-1.g-1 | Homo sapiens |
| CL | 14.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 20.7 | mL.min-1.g-1 | Homo sapiens |
| CL | 2180.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 2224.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 735.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine