Compound Detail
CHEMBL5432981
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CNC(=O)c1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)c(-c3ccc(N)cc3C)nn4C)ccc2C)cc1
Basic Information
| ChEMBL ID | CHEMBL5432981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMIQDDJVGIKUJA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
5.30
ALogP
6
HBA
4
HBD
131.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.82 | 6.585 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of BRD4 BD2 (unknown origin) | 37478496 |
| Bromodomain-containing protein 4 | IC50 | = | 4460.0 | nM | 5.35 | Inhibition of BRD4 BD1 (unknown origin) | 37478496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37478496 | 10.1021/acs.jmedchem.3c01028 | Bromodomain-containing protein 4 | 2 |
| 37478496 | 10.1021/acs.jmedchem.3c01028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine