Compound Detail
CHEMBL4857786
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4857786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZSSCYPZAVNPSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.23
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 630.96 | nM | 6.2 | Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown... | 33662213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33662213 | 10.1021/acs.jmedchem.0c02156 | Bromodomain-containing protein 4 | 2 |
| 33662213 | 10.1021/acs.jmedchem.0c02156 | Unchecked | 1 |
| 33662213 | 10.1021/acs.jmedchem.0c02156 | No relevant target | 1 |
| 33662213 | 10.1021/acs.jmedchem.0c02156 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine