Compound Detail
CHEMBL4555828
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COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OC[C@@H](O)CN4CCN(C)CC4)c(C)c3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL4555828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLFZFUYEGLCTFA-IBGZPJMESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
2.21
ALogP
8
HBA
2
HBD
100.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.58 | 5.52 | 2600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene ... | 32255647 |
| Bromodomain-containing protein 4 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene ... | 32255647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32255647 | 10.1021/acs.jmedchem.0c00035 | Bromodomain-containing protein 4 | 4 |
Data from ChEMBL 36 via Core Engine