Compound Detail
CHEMBL3809575
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CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3809575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXXFMGCCUOEKME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
5.79
ALogP
7
HBA
0
HBD
83.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 5.46 | 5.46 | 3500.0 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Kd | = | 3500.0 | nM | 5.46 | Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after... | 26982797 |
| CREB-binding protein | Kd | = | 17000.0 | nM | 4.77 | Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROM... | 26982797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26982797 | 10.1021/acs.jmedchem.5b01757 | CREB-binding protein | 2 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Bromodomain-containing protein 9 | 2 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Histone acetyltransferase p300 | 1 |
| 26982797 | 10.1021/acs.jmedchem.5b01757 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine