Compound Detail
CHEMBL5089426
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Basic Information
| ChEMBL ID | CHEMBL5089426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMXJDEIVEZRCDN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.2
MW (Da)
4.89
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.01 | 5.81 | 980.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 39.5 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.09 | - | Homo sapiens |
| T1/2 | 0.5833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 980.0 | nM | 6.01 | Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy method | 34236185 |
| Bromodomain-containing protein 4 | IC50 | = | 2430.0 | nM | 5.61 | Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method | 34236185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34236185 | 10.1021/acs.jmedchem.1c00933 | ADMET | 3 |
| 34236185 | 10.1021/acs.jmedchem.1c00933 | Bromodomain-containing protein 4 | 2 |
| 34236185 | 10.1021/acs.jmedchem.1c00933 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine