Compound Detail
CHEMBL5439670
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CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
Basic Information
| ChEMBL ID | CHEMBL5439670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXPGRWCCCLWKQJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
852.0
MW (Da)
5.22
ALogP
12
HBA
3
HBD
197.8
PSA (Ų)
0.10
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.22
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RS4-11 CHEMBL2366159 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| CREB-binding protein CHEMBL5747 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RS4-11 | IC50 | = | 0.3 | nM | 9.52 | Cytotoxicity against human RS4-11 cells assessed as inhibition of cell growth in... | 37276143 |
| CREB-binding protein | EC50 | = | 0.6 | nM | 9.22 | Induction of CBP degradation in human RS4-11 cells incubated for 4 hrs by Wester... | 37276143 |
| Histone acetyltransferase p300 | EC50 | = | 0.6 | nM | 9.22 | Induction of p300 degradation in human RS4-11 cells incubated for 4 hrs by Weste... | 37276143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37276143 | 10.1021/acs.jmedchem.3c00492 | CREB-binding protein | 2 |
| 37276143 | 10.1021/acs.jmedchem.3c00492 | Histone acetyltransferase p300 | 2 |
| 37276143 | 10.1021/acs.jmedchem.3c00492 | RS4-11 | 2 |
Data from ChEMBL 36 via Core Engine