Compound Detail
CHEMBL4643109
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COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL4643109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNXQAGVEBBLAMW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
783.8
MW (Da)
1.71
ALogP
14
HBA
3
HBD
199.7
PSA (Ų)
0.10
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 7 CHEMBL3085622 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 7 | IC50 | = | 100.0 | nM | 7.0 | Binding affinity to BRD7 (unknown origin) | 32410449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 7 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine