Compound Detail
CHEMBL5218813
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Basic Information
| ChEMBL ID | CHEMBL5218813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBGMNYXQTDAOTN-LLVKDONJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.77
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.4 | 8.3 | 4.0 | 2 |
| C-C motif chemokine 2 CHEMBL1649052 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 3.981 | nM | 8.4 | Inhibition of BRD4 BD2 (unknown origin) measured by TR-FRET assay | 36378954 |
| Bromodomain-containing protein 4 | IC50 | = | 6.31 | nM | 8.2 | Inhibition of BRD4 BD1 (unknown origin) measured by TR-FRET assay | 36378954 |
| C-C motif chemokine 2 | IC50 | = | 25.12 | nM | 7.6 | Inhibition of MCP-1 in LPS-stimulated human whole blood incubate for 24 hrs by i... | 36378954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36378954 | 10.1021/acs.jmedchem.2c01102 | Bromodomain-containing protein 4 | 2 |
| 36378954 | 10.1021/acs.jmedchem.2c01102 | No relevant target | 2 |
| 36378954 | 10.1021/acs.jmedchem.2c01102 | C-C motif chemokine 2 | 1 |
| 36378954 | 10.1021/acs.jmedchem.2c01102 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine