Compound Detail
CHEMBL4792381
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C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC(CCN4CCOC5(CC4)CCN(c4ccc6c(c4)CN(C4CCC(=O)NC4=O)C6=O)CC5)CC3)nc2)N1CC(C)(C)F
Basic Information
| ChEMBL ID | CHEMBL4792381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRCKXZMRGJWXQI-GNDFOHGCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
860.1
MW (Da)
6.17
ALogP
10
HBA
2
HBD
130.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Estrogen receptor CHEMBL4523681 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Estrogen receptor | IC50 | = | 0.5 | nM | 9.3 | Protac activity at CRBN/ERalpha in human MCF7 cells assessed as induction of ERa... | 33335653 |
| Estrogen receptor | IC50 | = | 2.0 | nM | 8.7 | Displacement of fluorescent ligand from human recombinant GST-tagged ER-alpha li... | 33335653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33335653 | 10.1021/acsmedchemlett.0c00589 | Estrogen receptor | 1 |
| 33335653 | 10.1021/acsmedchemlett.0c00589 | Protein cereblon/Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine