Compound Detail
CHEMBL4640733
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O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCn4cc(CCCC(=O)N[C@@H]5CCN(c6ncc(C(=O)Nc7ccc(OC(F)(F)Cl)cc7)cc6-c6cc[nH]n6)C5)nn4)c3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4640733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUCAXHCIOIVJQP-LERZKORDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1017.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.99
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| Protein cereblon/BCR/ABL CHEMBL4296137 | EC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 121.0 | nM | 6.92 | Antiproliferative activity against human K562 cells incubated for 3 days by CCK8... | 32657579 |
| Protein cereblon/BCR/ABL | EC50 | = | 1020.0 | nM | 5.99 | Protac activity at Cereblon/BCR/ABL T315I mutant (unknown origin) expressed in m... | 32657579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Protein cereblon/BCR/ABL | 3 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | K562 | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine