Compound Detail
CHEMBL3934488
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Basic Information
| ChEMBL ID | CHEMBL3934488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDLOIRATYRBXGM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.08
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 7.52 | 6.705 | 30.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 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 | = | 1300.0 | nM | 5.89 | Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) exp... | 27682507 |
| Bromodomain-containing protein 4 | IC50 | = | 5800.0 | nM | 5.24 | Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain... | 27682507 |
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 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine