Compound Detail
CHEMBL3889679
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 | CHEMBL3889679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDQSAWDSOXZXES-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.08
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 7.52 | 6.77 | 30.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.43 | 5.355 | 3700.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 43.0 | mL.min-1.kg-1 | Mus musculus |
| F | 5.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 20.0 | nM | 7.7 | TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 30.0 | nM | 7.52 | Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unkno... | 27682507 |
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) exp... | 27682507 |
| Bromodomain-containing protein 4 | IC50 | = | 3700.0 | nM | 5.43 | Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain... | 27682507 |
| Bromodomain-containing protein 4 | IC50 | = | 5250.0 | nM | 5.28 | AlphaLisa Binding Assay: His/Flag epitope tagged BRD4 BD142-168 was cloned, expr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27682507 | 10.1021/acs.jmedchem.6b01022 | CREB-binding protein/Histone acetyltransferase p300 | 2 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | ADMET | 2 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | Bromodomain-containing protein 4 | 1 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | Unchecked | 1 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine