Compound Detail
CHEMBL5095210
VEPDEGESTRANT 🧪 Phase III
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🧪 Phase III
O=C1CC[C@H](N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5095210 |
| Name | VEPDEGESTRANT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | TZZDVPMABRWKIZ-XMOGEVODSA-N |
2
Targets
2
Activities
1
Assay Types
27
PK Parameters
15
Publications
6
Known Names
4
Indications
Molecular Properties
723.9
MW (Da)
6.05
ALogP
7
HBA
2
HBD
96.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Breast Neoplasms Breast Neoplasms Hemangiosarcoma Neoplasms
Activity Summary
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein cereblon/Estrogen receptor CHEMBL4523681 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 244.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 684.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2538.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5717.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 658.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5717.0 | ng.hr.mL-1 | Mus musculus |
| CL | 18.6 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.9 | mL.min-1.kg-1 | Mus musculus |
| CL | 35.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 64.23 | nM | Rattus norvegicus |
| Cmax | 215.91 | nM | Mus musculus |
| Cmax | 116.03 | nM | Mus musculus |
| Cmax | 430.99 | nM | Mus musculus |
| Cmax | 1328.88 | nM | Mus musculus |
| F | 10.0 | % | Rattus norvegicus |
| F | 31.0 | % | Mus musculus |
| F | 59.0 | % | Mus musculus |
| F | 24.0 | % | Rattus norvegicus |
| F | 5.0 | % | Canis lupus familiaris |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 2.5 | hr | Mus musculus |
| T1/2 | 28.0 | hr | Mus musculus |
| T1/2 | 6.2 | hr | Mus musculus |
| T1/2 | 15.0 | hr | Rattus norvegicus |
| T1/2 | 11.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 1.0 | nM | 9.0 | Induction of ERalpha degradation in human MCF7 cells | 37377342 |
| Protein cereblon/Estrogen receptor | EC50 | = | 2.0 | nM | 8.7 | Protac activity at CRBN/Estrogen receptor in human breast cancer cells assessed ... | 35092900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37647546 | 10.1021/acs.jmedchem.3c01186 | ADMET | 21 |
| 39078401 | 10.1021/acs.jmedchem.4c01017 | ADMET | 13 |
| 37377342 | 10.1021/acs.jmedchem.3c00136 | ADMET | 6 |
| 37377342 | 10.1021/acs.jmedchem.3c00136 | MCF7 | 6 |
| 37647546 | 10.1021/acs.jmedchem.3c01186 | MCF7 | 5 |
| 37377342 | 10.1021/acs.jmedchem.3c00136 | Unchecked | 5 |
| 37647546 | 10.1021/acs.jmedchem.3c01186 | Protein cereblon/Estrogen receptor | 4 |
| 37647546 | 10.1021/acs.jmedchem.3c01186 | Unchecked | 3 |
| 37403870 | 10.1021/acs.jmedchem.3c00550 | Estrogen receptor | 2 |
| 37708797 | 10.1016/j.ejmech.2023.115793 | ADMET | 2 |
| 35092900 | 10.1016/j.ejmech.2022.114142 | Protein cereblon/Estrogen receptor | 1 |
| 37377342 | 10.1021/acs.jmedchem.3c00136 | Estrogen receptor | 1 |
| 37708797 | 10.1016/j.ejmech.2023.115793 | Protein cereblon/Estrogen receptor | 1 |
| 38171146 | 10.1016/j.ejmech.2023.116067 | Estrogen receptor | 1 |
| 39078401 | 10.1021/acs.jmedchem.4c01017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine