Compound Detail
CHEMBL4071581
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Basic Information
| ChEMBL ID | CHEMBL4071581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGVMZCTTBBSOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
201.7
MW (Da)
1.25
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 4.5 | 4.5 | 31622.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 31622.78 | nM | 4.5 | Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (... | 28002667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28002667 | 10.1021/acs.jmedchem.6b01566 | No relevant target | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 4 | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2B | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine