Compound Detail
CHEMBL4099456
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4099456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEPPHANDICKARV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
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 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 7.07 | 6.485 | 85.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 85.0 | nM | 7.07 | PCAF AlphaLisa Binding Assay: His/Flag epitope tagged PCAF719-832 bromodomain wa... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 1258.93 | nM | 5.9 | 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