Compound Detail
CHEMBL4096641
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Basic Information
| ChEMBL ID | CHEMBL4096641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZAFGXCWAWRULT-KGLIPLIRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
2.44
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.0 | 4.9667 | 10000.0 | 3 |
| Bromodomain-containing protein 9 CHEMBL3108640 | 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 | = | 10000.0 | nM | 5.0 | Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length human P... | 28002667 |
| Histone acetyltransferase KAT2B | IC50 | = | 10000.0 | nM | 5.0 | Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length human P... | 28002667 |
| Histone acetyltransferase KAT2B | IC50 | = | 12589.25 | nM | 4.9 | Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (... | 28002667 |
| Bromodomain-containing protein 9 | IC50 | = | 31622.78 | nM | 4.5 | Displacement of GSK2833930A from human BRD9 incubated for 30 mins in dark by TR-... | 28002667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28002667 | 10.1021/acs.jmedchem.6b01566 | No relevant target | 4 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2B | 4 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 4 | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2A | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine