Compound Detail
CHEMBL5437022
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CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCNc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
Basic Information
| ChEMBL ID | CHEMBL5437022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XETBTLFBEYTSGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
795.9
MW (Da)
4.41
ALogP
11
HBA
3
HBD
180.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.7
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RS4-11 CHEMBL2366159 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| CREB-binding protein CHEMBL5747 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RS4-11 | IC50 | = | 0.1 | nM | 10.0 | Cytotoxicity against human RS4-11 cells assessed as inhibition of cell growth in... | 37276143 |
| CREB-binding protein | EC50 | = | 0.2 | nM | 9.7 | Induction of CBP degradation in human RS4-11 cells incubated for 4 hrs by Wester... | 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