Compound Detail
CHEMBL4650316
GIREDESTRANT 🧪 Phase III
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🧪 Phase III
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
Basic Information
| ChEMBL ID | CHEMBL4650316 |
| Name | GIREDESTRANT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | GQCXHIKRWBIQMD-AKJBCIBTSA-N |
4
Targets
5
Activities
2
Assay Types
23
PK Parameters
16
Publications
4
Known Names
3
Indications
1
Mechanisms
Molecular Properties
522.6
MW (Da)
4.87
ALogP
4
HBA
3
HBD
54.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor alpha degrader | DEGRADER | Estrogen receptor | ✓ | ✓ |
Indications
Breast Neoplasms Endometrial Neoplasms Neoplasms
Activity Summary
IC50 4 meas. best 10.3
EC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
| MCF7 CHEMBL387 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.19 | 4.885 | 6500.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3533.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 23.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 19.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 52.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 13.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 22.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 33.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 7.8 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 31.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 3.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 19.0 | mL.min-1.kg-1 | Macaca fascicularis |
| F | 41.0 | % | Rattus norvegicus |
| F | 65.0 | % | Rattus norvegicus |
| F | 55.0 | % | Canis lupus familiaris |
| F | 17.0 | % | Macaca fascicularis |
| F | 29.0 | % | Macaca fascicularis |
| T1/2 | 8.0 | hr | Rattus norvegicus |
| T1/2 | 24.0 | hr | Canis lupus familiaris |
| T1/2 | 7.3 | hr | Macaca fascicularis |
| T1/2 | 1.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.05 | nM | 10.3 | Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hr... | 34251202 |
| MCF7 | EC50 | = | 0.4 | nM | 9.4 | Antiproliferative activity against human MCF-7 cells incubated for 72 hrs by Cel... | 34251202 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of human ERG expressed in HEK293 cells incubated for 5 mins by patch ... | 34251202 |
| Cytochrome P450 3A4 | IC50 | = | 6500.0 | nM | 5.19 | Reversible inhibition of CYP3A4 in human liver microsomes at 10 uM using midazol... | 34251202 |
| Cytochrome P450 3A4 | IC50 | = | 26000.0 | nM | 4.58 | Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as ... | 34251202 |
Literature References
Data from ChEMBL 36 via Core Engine