Compound Detail
CHEMBL5221053
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Basic Information
| ChEMBL ID | CHEMBL5221053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIRLAKYCCWZLLY-GOSISDBHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
3.66
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of full-length P300 (unknown origin) using ARTKQTARKSTGGKAPRKQLAGG-K(... | 36302181 |
| CREB-binding protein/Histone acetyltransferase p300 | EC50 | = | 39.81 | nM | 7.4 | Inhibition of CBP/p300 in human COLO 320HSR cells assessed as reduction of C-myc... | 36302181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36302181 | 10.1021/acs.jmedchem.2c00670 | Histone acetyltransferase p300 | 1 |
| 36302181 | 10.1021/acs.jmedchem.2c00670 | CREB-binding protein/Histone acetyltransferase p300 | 1 |
| 36302181 | 10.1021/acs.jmedchem.2c00670 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine