Compound Detail
CHEMBL4103402
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Basic Information
| ChEMBL ID | CHEMBL4103402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYCNZAAZGQDRJG-NWDGAFQWSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.9
MW (Da)
2.21
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 7.9 | 7.774 | 12.7 | 5 |
| Histone acetyltransferase KAT2A/KAT2B CHEMBL3885587 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 12.7 | nM | 7.9 | PCAF AlphaLisa Binding Assay: His/Flag epitope tagged PCAF719-832 bromodomain wa... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 13.0 | nM | 7.89 | Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bro... | 28002667 |
| Histone acetyltransferase KAT2B | IC50 | = | 13.0 | nM | 7.89 | Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bro... | 29170712 |
| Histone acetyltransferase KAT2B | IC50 | = | 13.0 | nM | 7.89 | Inhibition of biotinylated ligand binding to FLAG epitope-fused/His-tagged PCAF ... | 30998845 |
| Histone acetyltransferase KAT2A/KAT2B | IC50 | = | 13.0 | nM | 7.89 | Inhibition of PCAF bromodomain/GCN5 bromodomain (unknown origin) | 36695774 |
| Histone acetyltransferase KAT2B | IC50 | = | 49.6 | nM | 7.3 | PCAF AlphaLisa Binding Assay: His/Flag epitope tagged PCAF719-832 bromodomain wa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2B | 1 |
| 29170712 | 10.1039/C6MD00373G | Histone acetyltransferase KAT2B | 1 |
| 30998845 | 10.1021/acs.jmedchem.9b00096 | Histone acetyltransferase KAT2B | 1 |
| 36695774 | 10.1021/acs.jmedchem.2c01638 | Histone acetyltransferase KAT2A/KAT2B | 1 |
Data from ChEMBL 36 via Core Engine