Compound Detail
CHEMBL5532556
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Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)Nc2cnc(-c3ccc(CNc4cccc5c4C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)cc3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5532556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZCHMQLAUVHTNM-RQVKAFHBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1016.1
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 7.36 | 7.36 | 44.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.34 | 7.34 | 45.8 | 1 |
| CREB-binding protein CHEMBL5747 | IC50 | 6.78 | 6.78 | 165.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 44.2 | nM | 7.36 | Antiproliferative activity against human MV4-11 cells incubated for 120 hrs by C... | 38649304 |
| Unchecked | IC50 | = | 45.8 | nM | 7.34 | Antiproliferative activity against human MOLM16 cells incubated for 72 hrs by Ce... | 38649304 |
| CREB-binding protein | IC50 | = | 165.8 | nM | 6.78 | Binding affinity to CBP BD (unknown origin) incubated for 2.5 hrs by Alphascreen... | 38649304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38649304 | 10.1021/acs.jmedchem.3c02195 | CREB-binding protein | 2 |
| 38649304 | 10.1021/acs.jmedchem.3c02195 | MV4-11 | 1 |
| 38649304 | 10.1021/acs.jmedchem.3c02195 | MOLM-13 | 1 |
| 38649304 | 10.1021/acs.jmedchem.3c02195 | Unchecked | 1 |
| 38649304 | 10.1021/acs.jmedchem.3c02195 | Protein cereblon/CREB-binding protein | 1 |
| 38649304 | 10.1021/acs.jmedchem.3c02195 | Protein cereblon/Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine