Compound Detail
CHEMBL3416525
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Basic Information
| ChEMBL ID | CHEMBL3416525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRTRYLVVJXCDTO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
446.3
MW (Da)
3.63
ALogP
7
HBA
1
HBD
96.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Histone acetyltransferase RTT109 CHEMBL3414417 | IC50 | 5.41 | 5.04 | 3900.0 | 3 |
| 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 p300 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using ... | 25634295 |
| Histone acetyltransferase RTT109 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acet... | 25634295 |
| Histone acetyltransferase RTT109 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acet... | 25634295 |
| Histone acetyltransferase RTT109 | IC50 | = | 15000.0 | nM | 4.82 | 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 | 5 |
| 25634295 | 10.1021/jm5019093 | Histone acetyltransferase p300 | 2 |
| 25634295 | 10.1021/jm5019093 | Histone acetyltransferase GCN5 | 2 |
| 25634295 | 10.1021/jm5019093 | Lupus La protein | 2 |
Data from ChEMBL 36 via Core Engine