Compound Detail
CHEMBL5421807
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Cc1onc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(OCC(=O)N4CCN(CCCCCCCCCNc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3)CC2)c1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL5421807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQIDTGMFXQVWKB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
966.5
MW (Da)
6.22
ALogP
13
HBA
2
HBD
204.0
PSA (Ų)
0.04
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Protein cereblon/Phospholipid hydroperoxide glutathione peroxidase CHEMBL5465208 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human HT-1080 cells assessed as reduction in ... | 37087895 |
| Protein cereblon/Phospholipid hydroperoxide glutathione peroxidase | EC50 | = | 400.0 | nM | 6.4 | PROTAC activity at CRBN/GPX4 in human HT-1080 cells assessed as induction of GPX... | 37087895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37087895 | 10.1016/j.ejmech.2023.115343 | Protein cereblon/Phospholipid hydroperoxide glutathione peroxidase | 4 |
| 37087895 | 10.1016/j.ejmech.2023.115343 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine