Compound Detail
CHEMBL4777606
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O=C1CCC(N2C(=O)c3cccc(NCCOCCOCc4cn(CCCC(=O)N5CCN(CC#Cc6ccc(OCCCc7sc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c(F)c6)CC5)nn4)c3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4777606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDSYVLYKZZKENZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1221.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Bcl-2-like protein 1 CHEMBL4523705 | EC50 | 7.3 | 7.3 | 50.0 | 2 |
| MOLT-4 CHEMBL614177 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 5.95 | 5.95 | 1136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Bcl-2-like protein 1 | EC50 | = | 50.0 | nM | 7.3 | PROTAC activity at CRBN/Bcl-xL in human MOLT-4 cells assessed as induction of Bc... | 35182816 |
| Protein cereblon/Bcl-2-like protein 1 | EC50 | = | 50.0 | nM | 7.3 | PROTAC activity at CRBN/BCL-XL in human MOLT-4 cells assessed as induction of BC... | 33189436 |
| MOLT-4 | IC50 | = | 51.0 | nM | 7.29 | Cytotoxicity against human MOLT-4 cells assessed as cell growth inhibition incub... | 35182816 |
| Platelet | IC50 | = | 1136.0 | nM | 5.95 | Cytotoxicity against human platelets assessed as cell growth inhibition incubate... | 35182816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35182816 | 10.1016/j.ejmech.2022.114184 | Protein cereblon/Bcl-2-like protein 1 | 2 |
| 32145645 | 10.1016/j.ejmech.2020.112186 | Unchecked | 1 |
| 32388279 | 10.1016/j.ejmech.2020.112397 | Unchecked | 1 |
| 32388279 | 10.1016/j.ejmech.2020.112397 | MOLT-4 | 1 |
| 32388279 | 10.1016/j.ejmech.2020.112397 | Protein cereblon/Bcl-2-like protein 1 | 1 |
| 35182816 | 10.1016/j.ejmech.2022.114184 | MOLT-4 | 1 |
| 35182816 | 10.1016/j.ejmech.2022.114184 | Platelet | 1 |
| 35182816 | 10.1016/j.ejmech.2022.114184 | Unchecked | 1 |
| 33189436 | 10.1016/j.ejmech.2020.112993 | Protein cereblon/Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine