Compound Detail
CHEMBL3981511
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Basic Information
| ChEMBL ID | CHEMBL3981511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMECDPIDDYPFQD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.34
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 7.7 | 7.085 | 20.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.68 | 5.53 | 2110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 10.0 | nM | 8.0 | TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 20.0 | nM | 7.7 | Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unkno... | 27682507 |
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) exp... | 27682507 |
| Bromodomain-containing protein 4 | IC50 | = | 2110.0 | nM | 5.68 | AlphaLisa Binding Assay: His/Flag epitope tagged BRD4 BD142-168 was cloned, expr... | - |
| Bromodomain-containing protein 4 | IC50 | = | 4200.0 | nM | 5.38 | Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain... | 27682507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27682507 | 10.1021/acs.jmedchem.6b01022 | ADMET | 4 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | CREB-binding protein/Histone acetyltransferase p300 | 2 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | Bromodomain-containing protein 4 | 1 |
| 27682507 | 10.1021/acs.jmedchem.6b01022 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine