Compound Detail
CHEMBL3416528
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Basic Information
| ChEMBL ID | CHEMBL3416528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRYMPEYWZQAWLC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.00
ALogP
6
HBA
0
HBD
68.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase RTT109 CHEMBL3414417 | IC50 | 5.07 | 4.9433 | 8600.0 | 3 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Histone acetyltransferase GCN5 CHEMBL4669 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase RTT109 | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acet... | 25634295 |
| Histone acetyltransferase p300 | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using ... | 25634295 |
| Histone acetyltransferase RTT109 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acet... | 25634295 |
| Histone acetyltransferase RTT109 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acet... | 25634295 |
| Histone acetyltransferase GCN5 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetra... | 25634295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25634295 | 10.1021/jm5019093 | Histone acetyltransferase RTT109 | 6 |
| 25634295 | 10.1021/jm5019093 | No relevant target | 4 |
| 25634295 | 10.1021/jm5019093 | Histone acetyltransferase p300 | 2 |
| 25634295 | 10.1021/jm5019093 | Histone acetyltransferase GCN5 | 2 |
Data from ChEMBL 36 via Core Engine