Compound Detail
CHEMBL3110243
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Basic Information
| ChEMBL ID | CHEMBL3110243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZBIMVSWUWZIHN-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.60
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 4.14
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 4.14 | 3.81 | 73000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain adjacent to zinc finger domain protein 2B | IC50 | = | 38000.0 | nM | 4.42 | Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expres... | 24304323 |
| Histone acetyltransferase KAT2B | Kd | = | 73000.0 | nM | 4.14 | Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE... | 27994766 |
| Histone acetyltransferase KAT2B | Kd | = | 104000.0 | nM | 3.98 | Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE... | 27994766 |
| Histone acetyltransferase KAT2B | Kd | = | 166000.0 | nM | 3.78 | Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE... | 27994766 |
| Histone acetyltransferase KAT2B | Kd | = | 459000.0 | nM | 3.34 | Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE... | 27994766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24304323 | 10.1021/jm401582c | Bromodomain adjacent to zinc finger domain protein 2B | 7 |
| 27994766 | 10.1021/acsmedchemlett.6b00154 | Histone acetyltransferase KAT2B | 6 |
Data from ChEMBL 36 via Core Engine