Compound Detail
CHEMBL221782
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Basic Information
| ChEMBL ID | CHEMBL221782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFFJMPAOJWWEKY-XVVYLEPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
466.1
MW (Da)
5.36
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of GST-p300 HAT assessed as histone acetylation | 17348637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23276449 | 10.1016/j.bmc.2012.11.033 | Vitamin D3 receptor | 2 |
| 17348637 | 10.1021/jm060943s | Histone acetyltransferase p300 | 1 |
| 23276449 | 10.1016/j.bmc.2012.11.033 | Retinoic acid receptor RXR-alpha | 1 |
| 23276449 | 10.1016/j.bmc.2012.11.033 | Retinoic acid receptor | 1 |
| 23276449 | 10.1016/j.bmc.2012.11.033 | Retinoid X receptor | 1 |
| 23276449 | 10.1016/j.bmc.2012.11.033 | Glucocorticoid receptor | 1 |
| 23276449 | 10.1016/j.bmc.2012.11.033 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | 1 |
Data from ChEMBL 36 via Core Engine