Compound Detail
CHEMBL4753930
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Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL4753930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQSJECKEYLFTOJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
687.8
MW (Da)
7.07
ALogP
7
HBA
5
HBD
151.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.44 | 7.04 | 36.6 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 36.6 | nM | 7.44 | Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using [Lys (5,8,12,... | 33077265 |
| Bromodomain-containing protein 4 | IC50 | = | 228.8 | nM | 6.64 | Inhibition of His-tagged BRD4 bromodomain 1 (unknown origin) using [Lys (5,8,12,... | 33077265 |
| MV4-11 | IC50 | = | 240.0 | nM | 6.62 | Antiproliferative activity against human MV4-11 cells assessed as cell viability... | 33077265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33077265 | 10.1016/j.ejmech.2020.112868 | Bromodomain-containing protein 4 | 2 |
| 33077265 | 10.1016/j.ejmech.2020.112868 | Histone deacetylase 1 | 1 |
| 33077265 | 10.1016/j.ejmech.2020.112868 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine