Compound Detail
CHEMBL3809636
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CCCOc1ccc2c(c1)c(-c1c(C)n(C(=O)c3ccc(OC)cc3)[nH]c1=O)cn2C(C)=O
Basic Information
| ChEMBL ID | CHEMBL3809636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRYGGZNMFCWJGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.25
ALogP
7
HBA
1
HBD
95.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | Kd | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | Kd | = | 9800.0 | nM | 5.01 | 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