Compound Detail
CHEMBL3775323
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Basic Information
| ChEMBL ID | CHEMBL3775323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLSMYKUQDJESEU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.62
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 5.17 | 5.17 | 6800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | Kd | = | 6800.0 | nM | 5.17 | Binding affinity to N-terminal His-tagged PCAF (715 to 831 residues) (unknown or... | 26731131 |
| Histone acetyltransferase KAT2B | Kd | = | 6800.0 | nM | 5.17 | Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bro... | 28002667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26731131 | 10.1021/acs.jmedchem.5b01719 | Histone acetyltransferase KAT2B | 2 |
| 26731131 | 10.1021/acs.jmedchem.5b01719 | Bromodomain-containing protein 7 | 1 |
| 26731131 | 10.1021/acs.jmedchem.5b01719 | Chromatin remodeling regulator CECR2 | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine