Compound Detail
CHEMBL5567101
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CC(=O)N1CC(n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)C1
Basic Information
| ChEMBL ID | CHEMBL5567101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOKDEWTXUBQOFY-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
5.25
ALogP
6
HBA
0
HBD
84.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of p300/CBP (unknown origin) using histone H3 (1 to 21 residues) as s... | 38316017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38316017 | 10.1021/acs.jmedchem.3c01468 | CREB-binding protein/Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine