Compound Detail
CHEMBL489494
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Basic Information
| ChEMBL ID | CHEMBL489494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDQGZDZYAMGIRK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.29
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by fi... | 19101154 |
| Histone acetyltransferase p300 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of GST-fused recombinant HAT p300 expressed in Escherichia coli by fi... | 19101154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101154 | 10.1016/j.bmc.2008.11.079 | Histone acetyltransferase KAT2B | 1 |
| 19101154 | 10.1016/j.bmc.2008.11.079 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine