Compound Detail
CHEMBL487
DROLOXIFENE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL487 |
| Name | DROLOXIFENE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | ZQZFYGIXNQKOAV-OCEACIFDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
9
Known Names
1
Mechanisms
Molecular Properties
387.5
MW (Da)
5.70
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor modulator | MODULATOR | Estrogen receptor | ✓ | ✓ |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 6600.0 | nM | 5.18 | Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 4045924 | 10.1021/jm00148a020 | MCF7 | 4 |
| 7131484 | 10.1021/jm00351a010 | Estrogen receptor | 3 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 7914405 | 10.1016/0006-2952(94)90099-x | ATP-dependent translocase ABCB1 | 1 |
| - | 10.1101/2020.03.20.999730 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.03.20.999730 | Vero | 1 |
| - | 10.1101/2020.03.20.999730 | ADMET | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine