Compound Detail
CHEMBL4461380
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Basic Information
| ChEMBL ID | CHEMBL4461380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOTAKFAKQLJZRE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
1.34
ALogP
6
HBA
2
HBD
106.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A CHEMBL3774298 | IC50 | 7.42 | 6.815 | 38.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03333 | hr | Mus musculus |
| T1/2 | 1.017 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT6A | IC50 | = | 38.0 | nM | 7.42 | Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues... | 32118427 |
| Unchecked | IC50 | = | 41.0 | nM | 7.39 | Biochemical Assay: Active Moz protein was expressed as N-terminal fusion protein... | - |
| Histone acetyltransferase KAT6A | IC50 | = | 610.0 | nM | 6.21 | Inhibition of recombinant KAT6A (unknown origin) expressed in C57BL/6 mouse embr... | 32118427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32118427 | 10.1021/acs.jmedchem.9b02071 | ADMET | 6 |
| 32118427 | 10.1021/acs.jmedchem.9b02071 | Histone acetyltransferase KAT6A | 2 |
| 32118427 | 10.1021/acs.jmedchem.9b02071 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine