Compound Detail
CHEMBL5083442
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Basic Information
| ChEMBL ID | CHEMBL5083442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GESYCLLAYBBSPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
3.16
ALogP
5
HBA
2
HBD
114.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.15 | 6.15 | 712.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.93 | 1163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 712.0 | nM | 6.15 | Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET a... | 34543572 |
| Unchecked | IC50 | = | 1163.0 | nM | 5.93 | Inhibition of c-MYC expression in human JJN3R cells measured after 4 hrs | 34543572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34543572 | 10.1021/acs.jmedchem.1c00625 | Unchecked | 2 |
| 34543572 | 10.1021/acs.jmedchem.1c00625 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine