Compound Detail
CHEMBL4072538
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Basic Information
| ChEMBL ID | CHEMBL4072538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEPPHANDICKARV-MRVPVSSYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.7
MW (Da)
0.94
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 6.63 | 6.465 | 235.0 | 2 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 235.0 | nM | 6.63 | PCAF AlphaLisa Binding Assay: His/Flag epitope tagged PCAF719-832 bromodomain wa... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 501.19 | nM | 6.3 | Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (... | 28002667 |
| Nucleosome-remodeling factor subunit BPTF | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL... | 34515477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28002667 | 10.1021/acs.jmedchem.6b01566 | No relevant target | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2B | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 4 | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 9 | 1 |
| 34515477 | 10.1021/acs.jmedchem.1c01294 | Nucleosome-remodeling factor subunit BPTF | 1 |
Data from ChEMBL 36 via Core Engine