Compound Detail
CHEMBL3581693
BRILANESTRANT 🧪 Phase II
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🧪 Phase II
CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3581693 |
| Name | BRILANESTRANT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BURHGPHDEVGCEZ-KJGLQBJMSA-N |
9
Targets
27
Activities
3
Assay Types
30
PK Parameters
20
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
446.9
MW (Da)
6.82
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor degrader | DEGRADER | Estrogen receptor | ✓ | ✓ |
Indications
Breast Neoplasms
Activity Summary
IC50 21 meas. best 9.7
EC50 5 meas. best 9.15
Ki 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 8.32 | 0.2 | 4 |
| Estrogen receptor CHEMBL206 | Ki | 9.43 | 9.43 | 0.4 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 9.3 | 8.4586 | 0.5 | 7 |
| Estrogen receptor CHEMBL206 | EC50 | 9.15 | 9.1333 | 0.7 | 3 |
| MCF7 CHEMBL387 | EC50 | 9.15 | 8.46 | 0.7 | 2 |
| MCF7 CHEMBL387 | IC50 | 8.7 | 8.315 | 2.0 | 4 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| T47D CHEMBL614361 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8800.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5800.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 69000.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 10000.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 45000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 21000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8800.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8800.0 | ng.hr.mL-1 | Mus musculus |
| CL | 11.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 7.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 16.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 11.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 40.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 9845.38 | nM | Mus musculus |
| Cmax | 4027.66 | nM | Rattus norvegicus |
| Cmax | 44751.74 | nM | Canis lupus familiaris |
| Cmax | 13649.28 | nM | Macaca fascicularis |
| Cmax | 1239.0 | nM | Mus musculus |
| F | 61.0 | % | Mus musculus |
| F | 49.0 | % | Rattus norvegicus |
| F | 61.0 | % | Canis lupus familiaris |
| F | 42.0 | % | Macaca fascicularis |
| F | 42.0 | % | Mus musculus |
| F | 61.0 | % | Mus musculus |
| F | 30.0 | % | Rattus norvegicus |
| Fu | 0.011 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine