Compound Detail
CHEMBL4585185
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Basic Information
| ChEMBL ID | CHEMBL4585185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLOVRGQTJGESMC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.97
ALogP
6
HBA
0
HBD
67.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.84 | 7.84 | 14.4 | 1 |
| MM1.S CHEMBL4296471 | IC50 | 7.32 | 7.32 | 47.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 14.4 | nM | 7.84 | Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain ... | 31490070 |
| MM1.S | IC50 | = | 47.7 | nM | 7.32 | Antiproliferative activity against human MM1S cells after 72 hrs by CCK8 or SRB ... | 31490070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Bromodomain-containing protein 4 | 1 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | MM1.S | 1 |
Data from ChEMBL 36 via Core Engine