Compound Detail
CHEMBL5219712
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CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5219712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKSCOWJURPRAGR-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
3.82
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of full-length P300 (unknown origin) using ARTKQTARKSTGGKAPRKQLAGG-K(... | 36302181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36302181 | 10.1021/acs.jmedchem.2c00670 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine