Compound Detail
CHEMBL4764687
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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCOCCOCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4764687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBHDZYRRJGYTTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
780.9
MW (Da)
8.89
ALogP
8
HBA
0
HBD
117.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of BRD4 bromodomain1 (unknown origin) using peptide histone H4 (SGRGA... | 33214826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214826 | 10.1021/acsmedchemlett.0c00294 | Bromodomain-containing protein 4 | 2 |
| 33214826 | 10.1021/acsmedchemlett.0c00294 | HCT-116 | 2 |
| 33214826 | 10.1021/acsmedchemlett.0c00294 | BXPC-3 | 1 |
| 33214826 | 10.1021/acsmedchemlett.0c00294 | MIA PaCa-2 | 1 |
Data from ChEMBL 36 via Core Engine