Compound Detail
CHEMBL4441001
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Basic Information
| ChEMBL ID | CHEMBL4441001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOLBMXZYRGTUOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
2.08
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A CHEMBL3774298 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A | IC50 | = | 32.0 | nM | 7.5 | Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues... | 32118427 |
| Unchecked | IC50 | = | 126.0 | nM | 6.9 | Biochemical Assay: Active Moz protein was expressed as N-terminal fusion protein... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32118427 | 10.1021/acs.jmedchem.9b02071 | Histone acetyltransferase KAT6A | 1 |
Data from ChEMBL 36 via Core Engine