Compound Detail
CHEMBL3581652
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Basic Information
| ChEMBL ID | CHEMBL3581652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKQYQLKQWQCCMP-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
5.16
ALogP
4
HBA
1
HBD
63.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.46
IC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 3 CHEMBL1795186 | Ki | 5.46 | 5.46 | 3438.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 5.08 | 5.08 | 8322.0 | 1 |
| Bromodomain-containing protein 2 CHEMBL1293289 | Ki | 5.08 | 5.08 | 8322.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.13 | 4.13 | 73970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 3 | Ki | = | 3438.0 | nM | 5.46 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 4 | Ki | = | 8322.0 | nM | 5.08 | Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues... | 26080064 |
| Bromodomain-containing protein 2 | Ki | = | 8322.0 | nM | 5.08 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 4 | IC50 | = | 73970.0 | nM | 4.13 | Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues... | 26080064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26080064 | 10.1021/acs.jmedchem.5b00613 | Bromodomain-containing protein 4 | 4 |
Data from ChEMBL 36 via Core Engine