Compound Detail
CHEMBL4635126
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Basic Information
| ChEMBL ID | CHEMBL4635126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHCSXLDQYABTLW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
3.93
ALogP
9
HBA
1
HBD
108.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.3 | 5.75 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 501.19 | nM | 6.3 | Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged hu... | 32787145 |
| Bromodomain-containing protein 4 | IC50 | = | 6309.57 | nM | 5.2 | Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged hu... | 32787145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787145 | 10.1021/acs.jmedchem.0c00566 | Bromodomain-containing protein 4 | 3 |
Data from ChEMBL 36 via Core Engine