Compound Detail
CHEMBL4059634
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4059634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJDWXPNECPMBHO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
5.02
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.47 | 7.47 | 34.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 34.0 | nM | 7.47 | Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay | 29155580 |
| CREB-binding protein | IC50 | = | 34.0 | nM | 7.47 | TR FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| CREB-binding protein | IC50 | = | 34.0 | nM | 7.47 | Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and purified t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29155580 | 10.1021/acs.jmedchem.7b01372 | CREB-binding protein | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Bromodomain-containing protein 4 | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine