Compound Detail
CHEMBL2431079
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Basic Information
| ChEMBL ID | CHEMBL2431079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYLGFHNCDUMRAR-HNNXBMFYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.97
ALogP
6
HBA
1
HBD
105.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.48 | 7.26 | 33.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 504.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 72.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.6 | mL.min-1.g-1 | Homo sapiens |
| CL | 8.9 | mL.min-1.g-1 | Rattus norvegicus |
| F | 44.0 | % | Rattus norvegicus |
| T1/2 | 0.393 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H... | 24900758 |
| Bromodomain-containing protein 4 | IC50 | = | 91.0 | nM | 7.04 | Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression a... | 24900758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900758 | 10.1021/ml4001485 | Rattus norvegicus | 5 |
| 24900758 | 10.1021/ml4001485 | Plasma | 2 |
| 24900758 | 10.1021/ml4001485 | Liver microsomes | 2 |
| 24900758 | 10.1021/ml4001485 | Bromodomain-containing protein 4 | 2 |
| 24900758 | 10.1021/ml4001485 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine