Compound Detail
CHEMBL222328
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Basic Information
| ChEMBL ID | CHEMBL222328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOLKEKNTCBWPSD-VOMDNODZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
464.1
MW (Da)
5.84
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| RmtA CHEMBL1075069 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of GST-p300 HAT assessed as histone acetylation | 17348637 |
| RmtA | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of Aspergillus nidulans RmtA | 18348515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17348637 | 10.1021/jm060943s | HeLa | 4 |
| 18348515 | 10.1021/jm701595q | U-937 | 3 |
| 17348637 | 10.1021/jm060943s | Histone acetyltransferase p300 | 2 |
| 17348637 | 10.1021/jm060943s | Histone acetyltransferase KAT2A | 1 |
| 17348637 | 10.1021/jm060943s | Histone acetyltransferase KAT2B | 1 |
| 18348515 | 10.1021/jm701595q | RmtA | 1 |
| 18348515 | 10.1021/jm701595q | Protein arginine N-methyltransferase 1 | 1 |
| 18348515 | 10.1021/jm701595q | Histone-lysine N-methyltransferase SETD7 | 1 |
| 18348515 | 10.1021/jm701595q | Histone-arginine methyltransferase CARM1 | 1 |
Data from ChEMBL 36 via Core Engine